cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2bl7bj
title: CCDC 2162477: Experimental Crystal Structure Determination

description: Related Article: Yong Yan, Xihao Lin, Hongping Xiao, Xinhua Li|2023|Electrochimica Acta|441|141808|doi:10.1016/j.electacta.2022.141808
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.7559886
title: Dataset of paper "Kinetic and mechanistic analysis of membrane fouling in microplastics removal from water by dead-end microfiltration"

description: Dataset of paper "Kinetic and mechanistic analysis of membrane fouling in microplastics removal from water by dead-end microfiltration": Microplastics and membrane characterisation: micro-FTIR and ATR spectra. Particle Size Distribution. Identifying the main successive fouling mechanisms using Hermia’s equation. The kinetic constants as a function of the microplastic type and the operating parameters. Permeate flux decline during microplastics filtration. Water contact angle and profilometry measured before and after the filtration of MPs.
DOI: 10.5281/zenodo.7559885
title: Dataset of paper "Kinetic and mechanistic analysis of membrane fouling in microplastics removal from water by dead-end microfiltration"

description: Dataset of paper "Kinetic and mechanistic analysis of membrane fouling in microplastics removal from water by dead-end microfiltration": Microplastics and membrane characterisation: micro-FTIR and ATR spectra. Particle Size Distribution. Identifying the main successive fouling mechanisms using Hermia’s equation. The kinetic constants as a function of the microplastic type and the operating parameters. Permeate flux decline during microplastics filtration. Water contact angle and profilometry measured before and after the filtration of MPs.
DOI: 10.6084/m9.figshare.20284713.v8
title: Data availability for Mirusviricota and the GOEV database

description: Data availability includes supplemental tables, FASTA files corresponding to the GOEV genomic database, genes, proteins, predicted 3D protein structure, and phylogenetic trees with theiur associated metadata. This data availability also includes a folder for all to Mirusviricota MAGs.
DOI: 10.6084/m9.figshare.20729854
title: Practice based small group learning during a pandemic: an evaluation from Defence Primary Healthcare

description: The educational benefits of Practice-Based Small Group Learning (PBSGL) are well known. The Ministry of Defence in the United Kingdom employs a salaried healthcare workforce across the globe with staff frequently moving. Given the success of PBSGL in Canada and Scotland, PBSGL was introduced as a large pilot to assess it as a continuous professional development (CPD) resource. A survey gathering quantitative and qualitative was distributed to the pilot population after using PBSGL for 12 months. This showed the favoured types of CPD were PBSGL and taught CPD update courses. Themes identified from free-text comments were: developing professional educational networks during Covid; evolving themes of CPD; applying learning to practice; practical aspects of delivering CPD to Defence promoting a positive learning environment; human interaction is therapeutic. These were similar to educational and non-educational benefits found in previous evaluations, but with the added benefit of providing a professional educational network during the COVID pandemic. Benefits were preserved when the sessions were run remotely using video-conferencing, although some of the human interaction was lost. As CPD, it was highly valued. For Defence, who need to consider the CPD requirements of their workforce, provision of PBSGL alongside taught CPD updates may satisfy the learning needs of the majority of the workforce.
DOI: 10.6084/m9.figshare.20729854.v1
title: Practice based small group learning during a pandemic: an evaluation from Defence Primary Healthcare

description: The educational benefits of Practice-Based Small Group Learning (PBSGL) are well known. The Ministry of Defence in the United Kingdom employs a salaried healthcare workforce across the globe with staff frequently moving. Given the success of PBSGL in Canada and Scotland, PBSGL was introduced as a large pilot to assess it as a continuous professional development (CPD) resource. A survey gathering quantitative and qualitative was distributed to the pilot population after using PBSGL for 12 months. This showed the favoured types of CPD were PBSGL and taught CPD update courses. Themes identified from free-text comments were: developing professional educational networks during Covid; evolving themes of CPD; applying learning to practice; practical aspects of delivering CPD to Defence promoting a positive learning environment; human interaction is therapeutic. These were similar to educational and non-educational benefits found in previous evaluations, but with the added benefit of providing a professional educational network during the COVID pandemic. Benefits were preserved when the sessions were run remotely using video-conferencing, although some of the human interaction was lost. As CPD, it was highly valued. For Defence, who need to consider the CPD requirements of their workforce, provision of PBSGL alongside taught CPD updates may satisfy the learning needs of the majority of the workforce.
DOI: 10.6084/m9.figshare.20977601
title: The acquisition of clinical experience during GP training – how can we mitigate for the impact of COVID-19?

description: The COVID-19 pandemic has profoundly impacted the way general practice is run and this is expected to have had a knock-on effect upon GP training. A questionnaire-based study was designed to investigate what was happening to GP trainees 16 months into the pandemic in terms of opportunities to develop clinical experience and clinical decision-making. We also asked trainers and trainees for ideas on how we might mitigate for the effects of COVID-19. In particular, there has been decreased exposure to clinical examination during the pandemic and there appear to be gaps in opportunities to learn from urgent and unscheduled care settings and to develop skills in rapid clinical decision-making. It is interesting to consider what general practice will look like when the pandemic is over and how this will this affect the GP training curriculum going forwards. Although response rates were low, we were able to determine some emerging themes for national, local and educational review going forwards to help shape and improve GP training for the future.
DOI: 10.6084/m9.figshare.20977601.v1
title: The acquisition of clinical experience during GP training – how can we mitigate for the impact of COVID-19?

description: The COVID-19 pandemic has profoundly impacted the way general practice is run and this is expected to have had a knock-on effect upon GP training. A questionnaire-based study was designed to investigate what was happening to GP trainees 16 months into the pandemic in terms of opportunities to develop clinical experience and clinical decision-making. We also asked trainers and trainees for ideas on how we might mitigate for the effects of COVID-19. In particular, there has been decreased exposure to clinical examination during the pandemic and there appear to be gaps in opportunities to learn from urgent and unscheduled care settings and to develop skills in rapid clinical decision-making. It is interesting to consider what general practice will look like when the pandemic is over and how this will this affect the GP training curriculum going forwards. Although response rates were low, we were able to determine some emerging themes for national, local and educational review going forwards to help shape and improve GP training for the future.
DOI: 10.14457/cu.the.1996.1074
title: ผลของการพัฒนาการเล่นสมมุติที่มีต่อความสามารถในการใช้วัตถุในจินตนาการ ของเด็กอายุ 2 ถึง 3 ปี
DOI: 10.14457/tu.the.2022.62
title: An improved denoising method based on singular value decomposition of Hankel matrix and wavelet thresholding

description: This work proposes three approaches for reducing noise of signals. The first strategy is based on combining the Hankel matrix-based singular value decomposition (HSVD) and wavelet thresholding (WT) approaches. We consider both cases of applying HSVD followed by WT (HSVD-WT) and applying WT followed by HSVD (WT-HSVD). The other two approaches are proposed to accelerate the computational time of HSVD. One of these approaches is based on partitioning the signals into small intervals before applying HSVD and another one is based on modifying the Hankel matrix to have a smaller dimension. These approaches are tested on different signals, including synthetic periodic and aperiodic signals, as well as signals describing natural sound and images. We investigate the results for various levels of noise and measure the accuracies by mean squared error (MSE), signal-to-noise ratio (SNR) and peak signal to noise ratio (PSNR). The numerical results show that the HSVD-WT and WT-HSVD approaches can provide more accurate results compared to the cases when using HSVD and WT alone. The other two strategies based on partitioning signals and modifying Hankel matrix are shown to give the same level of accuracy as the standard of HSVD approach while using substantially less computational time.
DOI: 10.3886/e183284
title: DEMOSPA1520

description: This database (named DEMOSPA1520) is composed of fourteen datasets: a group of (monthly and daily moving averages) datasets derived from population stocks and a collection of (daily, monthly and quarterly) datasets obtained from population, death, migration and birth statistics
description: Response Rates: NA
description: datasets derived from population stocks and a collection of datasets obtained from population, death, migration and birth statistics.
description: other; 325 million demographic records from Spain, corresponding to a period of six years (2015-2020)
DOI: 10.14272/vjuxhpaaxfeykz-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3419 (w), 3235 (vw), 2965 (w), 2255 (vw), 1626 (w), 1588 (w), 1573 (w), 1546 (w), 1487 (m), 1433 (m), 1387 (w), 1349 (w), 1321 (w), 1293 (w), 1250 (m), 1204 (m), 1181 (m), 1087 (w), 1070 (w), 1034 (w), 1005 (w), 915 (w), 850 (w), 824 (w), 783 (w), 728 (m), 656 (w), 628 (m), 571 (w) cm–1.
DOI: 10.14272/vjuxhpaaxfeykz-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB-MS m/z (%): 338 (17), 337 (81), 336 [M]+ (100).HRMS-FAB (m/z): [M]+ calcd. for C19H20O2N4, 336.1586; found, 336.1585.
DOI: 10.14272/vjuxhpaaxfeykz-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS-FAB (m/z): [M]+ calcd. for C19H20O2N4, 336.1586; found, 336.1585.
DOI: 10.14272/vjuxhpaaxfeykz-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/vjuxhpaaxfeykz-uhfffaoysa-n.1
title: N-Isopropyl-2,3-dimethoxypyrido[2',1':2,3]imidazo[4,5-c]isochinolin-5-amine
title: InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)

description: This dataset contains experimental data from a sample (InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) fast-atom bombardment mass spectrometry (FABMS) high resolution fast-atom bombardment mass spectrometry (HRFABMS) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/vjuxhpaaxfeykz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.2 ppm], ppm) δ = 152.6 (Cq), 150.6 (Cq), 148.7 (Cq), 143.6 (Cq), 134.2 (Cq), 126.9 (Cq), 126.0 (CHAr), 125.2 (Cq), 123.3 (CHAr), 117.3 (CHAr), 113.2 (Cq), 110.8 (CHAr), 103.5 (CHAr), 103.0 (CHAr), 56.5 (CH3), 56.4 (CH3), 43.4 (CH), 23.1 (2C, CH3). Spectrum contains signals of tautomers and DMF (162.6, 36.5, 31.5 ppm).
DOI: 10.14272/vjuxhpaaxfeykz-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/vjuxhpaaxfeykz-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/vjuxhpaaxfeykz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm], ppm) δ = 8.63–8.56 (m, 1H, CHAr), 8.02–7.94 (m, 1H, CHAr), 7.75–7.59 (m, 1H, CHAr), 7.23 (d, J = 23.5 Hz, 2H, CHAr), 6.88–6.82 (m, 1H, CHAr), 5.10 (s, 1H, NH), 4.60 (t, J = 6.8 Hz, 1H, CH), 4.09–4.05 (m, 3H, CH3), 4.03–3.99 (s, 3H, CH3), 1.48–1.34 (m, 6H, CH3). Spectrum contains signals of tautomers and DMF (8.02, 2.96, 2.88 ppm).
DOI: 10.14272/nyrzjqhsbucbrv-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/nyrzjqhsbucbrv-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/nyrzjqhsbucbrv-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.26 ppm], ppm) δ = 8.65 (d, J = 8.1 Hz, 1H, CHAr), 8.59 (d, J = 6.8 Hz, 1H, CHAr), 7.95 (d, J = 8.3 Hz, 1H, CHAr), 7.80 (t, J = 7.5 Hz, 1H, CHAr), 7.69 (d, J = 9.2 Hz, 1H, CHAr), 7.58 (ddd, J = 8.0 Hz, J = 7.0 Hz, J = 1.4 Hz, 1H, CHAr), 7.28–7.25 (m, 1H, CHAr), 6.86 (t, J = 6.7 Hz, 1H, CHAr), 6.24 (t, J = 4.7, 1H, NH), 3.79 (dt, J = 9.1 Hz, J = 5.0 Hz, 6H, CH2), 2.81 (t, J = 6.0 Hz, 2H, CH2), 2.59 (t, J = 4.4 Hz, 4H, CH2). Spectrum contains signals of H-grease and N-ethylacetamide (6.87, 3.35, 2.17, 1.19 ppm). The yield has been adjusted accordingly.
DOI: 10.14272/nyrzjqhsbucbrv-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/nyrzjqhsbucbrv-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3 [77.2 ppm], ppm) δ = 152.2 (Cq), 144.0 (Cq), 134.7 (Cq), 131.4 (Cq), 130.5 (CHAr), 125.8 (CHAr), 125.8 (CHAr), 123.2 (CHAr), 123.2 (CHAr), 123.0 (CHAr), 123.0 (CHAr), 119.1 (CHAr), 117.9 (CHAr), 111.9 (CHAr), 67.2 (2C, CH2), 57.0 (CH2), 53.5 (CH2), 38.1 (2C, CH2).Spectrum contains signals of H-grease and N-ethylacetamide (169.5, 33.7, 22.4, 14.0 ppm).
DOI: 10.14272/nyrzjqhsbucbrv-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C20H22N5O1: 348.1817; found, 348.1819.
DOI: 10.14272/nyrzjqhsbucbrv-uhfffaoysa-n/chmo0000763.1
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3271 (m), 3075 (w), 2952 (m), 2942 (w), 2932 (w), 2890 (w), 2868 (w), 2851 (m), 2812 (m), 2765 (w), 1655 (m), 1632 (s), 1625 (s), 1582 (vs), 1548 (vs), 1524 (vs), 1507 (vs), 1445 (s), 1421 (vs), 1377 (vs), 1350 (vs), 1306 (vs), 1258 (vs), 1217 (s), 1170 (m), 1145 (s), 1116 (vs), 1068 (s), 1034 (s), 1007 (s), 950 (m), 929 (s), 914 (s), 887 (s), 866 (s), 824 (m), 805 (m), 773 (vs), 744 (vs), 732 (vs), 711 (s), 670 (s), 636 (vs), 628 (vs), 613 (s), 591 (s), 568 (s), 547 (s), 521 (vs), 473 (s), 438 (s), 421 (s), 402 (m), 390 (s), 382 (s) cm–1.
DOI: 10.14272/nyrzjqhsbucbrv-uhfffaoysa-n/chmo0000563.1
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB‑MS m/z (%): 349 (27), 348 [M+H]+ (100), 347 (59), 346 (18), 262 (8), 261 (38), 260 (9), 259 (14), 248 (10), 247 (31), 246 (8), 235 (15), 234 (42), 233 (10), 219 (11), 149 (10), 136 (9), 118 (8), 114 (16), 100 (66), 91 (11), 90 (5), 89 (6).HRMS‑FAB (m/z): [M+H]+ calcd. for C20H22N5O1: 348.1817; found, 348.1819.
DOI: 10.14272/nyrzjqhsbucbrv-uhfffaoysa-n.2
title: N-(2-morpholinoethyl)pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5-amine
title: InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)

description: This dataset contains experimental data from a sample (InChI=1S/C20H21N5O/c1-2-6-16-15(5-1)18-20(25-9-4-3-7-17(25)22-18)23-19(16)21-8-10-24-11-13-26-14-12-24/h1-7,9H,8,10-14H2,(H,21,23)). The datasets from the following experiments are available: fast-atom bombardment mass spectrometry (FABMS) high resolution fast-atom bombardment mass spectrometry (HRFABMS) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/rgrcdezdhrbrjv-uhfffaoysa-n.2
title: N-cyclohexyl-2,3-dimethoxypyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5-amine
title: InChI=1S/C20H22N4O2/c1-20(2,3)23-18-13-11-15(26-5)14(25-4)10-12(13)17-19(22-18)24-9-7-6-8-16(24)21-17/h6-11H,1-5H3,(H,22,23)

description: This dataset contains experimental data from a sample (InChI=1S/C20H22N4O2/c1-20(2,3)23-18-13-11-15(26-5)14(25-4)10-12(13)17-19(22-18)24-9-7-6-8-16(24)21-17/h6-11H,1-5H3,(H,22,23)). The datasets from the following experiments are available: fast-atom bombardment mass spectrometry (FABMS) high resolution fast-atom bombardment mass spectrometry (HRFABMS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/rgrcdezdhrbrjv-uhfffaoysa-n/chmo0001146.1
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C20H22N4O2/c1-20(2,3)23-18-13-11-15(26-5)14(25-4)10-12(13)17-19(22-18)24-9-7-6-8-16(24)21-17/h6-11H,1-5H3,(H,22,23)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/rgrcdezdhrbrjv-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C20H22N4O2/c1-20(2,3)23-18-13-11-15(26-5)14(25-4)10-12(13)17-19(22-18)24-9-7-6-8-16(24)21-17/h6-11H,1-5H3,(H,22,23)

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 2961 (vw), 2255 (w), 2172 (w), 1624 (w), 1590 (w), 1574 (w), 1538 (w), 1479 (w), 1430 (w), 1390 (w), 1346 (w), 1310 (w), 1290 (w), 1251 (w), 1201 (m), 1180 (w), 1090 (w), 1071 (w), 1035 (w), 1005 (w), 993 (w), 938 (w), 913 (w), 854 (w), 824 (w), 787 (w), 745 (w), 723 (m), 662 (w) cm–1.
DOI: 10.14272/rgrcdezdhrbrjv-uhfffaoysa-n/chmo0000563.1
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C20H22N4O2/c1-20(2,3)23-18-13-11-15(26-5)14(25-4)10-12(13)17-19(22-18)24-9-7-6-8-16(24)21-17/h6-11H,1-5H3,(H,22,23)

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB-MS m/z (%): 351 [M+H]+ (84), 350 [M]+ (100), 294 (15).HRMS-FAB (m/z): [M]+ calcd. for C22H22O2N4, 350.1743; found, 350.1742.
DOI: 10.14272/rgrcdezdhrbrjv-uhfffaoysa-n/chmo0000726.1
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C20H22N4O2/c1-20(2,3)23-18-13-11-15(26-5)14(25-4)10-12(13)17-19(22-18)24-9-7-6-8-16(24)21-17/h6-11H,1-5H3,(H,22,23)

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS-FAB (m/z): [M]+ calcd. for C22H22O2N4, 350.1743; found, 350.1742.
DOI: 10.14272/rgrcdezdhrbrjv-uhfffaoysa-n/chmo0001148.1
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C20H22N4O2/c1-20(2,3)23-18-13-11-15(26-5)14(25-4)10-12(13)17-19(22-18)24-9-7-6-8-16(24)21-17/h6-11H,1-5H3,(H,22,23)

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/rgrcdezdhrbrjv-uhfffaoysa-n/chmo0001150.1
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C20H22N4O2/c1-20(2,3)23-18-13-11-15(26-5)14(25-4)10-12(13)17-19(22-18)24-9-7-6-8-16(24)21-17/h6-11H,1-5H3,(H,22,23)

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)