cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/digdztviavkgmw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H25FO3/c1-4-5-10-23(2,3)17-13-20(25)19-12-16(22(26)27-21(19)14-17)11-15-6-8-18(24)9-7-15/h6-9,12-14,25H,4-5,10-11H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, acetone-D6, ppm) δ = 9.31 (s, 1H, OH), 7.84 (s, 1H, CH), 7.42–7.36 (m, 2H, 2 × CHar), 7.08 (t, 3J = 8.9 Hz, 2H, 2 × CHar), 6.82 (d, 4J = 1.7 Hz, 1H, CHar), 6.77 (d, 4J = 1.7 Hz, 1H, CHar), 3.85 (s, 2H, CCH2), 1.65–1.57 (m, 2H, 7-CCH2), 1.27 (s, 6H, C(CH3)2), 1.24–1.16 (m, 2H, CH2), 1.07–0.99 (m, 2H, CH2), 0.80 (t, 3J = 7.4 Hz, 3H, CH3).Analysis taken from literature: ISBN 978-3-8325-5103-2
DOI: 10.14272/digdztviavkgmw-uhfffaoysa-n.1
title: 3-(4-Fluorobenzyl)-5-hydroxy-7-(2-methylhexan-2-yl)-2H-chromen-2-one
title: InChI=1S/C23H25FO3/c1-4-5-10-23(2,3)17-13-20(25)19-12-16(22(26)27-21(19)14-17)11-15-6-8-18(24)9-7-15/h6-9,12-14,25H,4-5,10-11H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C23H25FO3/c1-4-5-10-23(2,3)17-13-20(25)19-12-16(22(26)27-21(19)14-17)11-15-6-8-18(24)9-7-15/h6-9,12-14,25H,4-5,10-11H2,1-3H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/yzfrghmjykgnib-uhfffaoysa-n.1
title: 5-Hydroxy-3-(2-methylbenzyl)-7-(2-methylhexan-2-yl)-2H-chromen-2-one
title: InChI=1S/C24H28O3/c1-5-6-11-24(3,4)19-14-21(25)20-13-18(23(26)27-22(20)15-19)12-17-10-8-7-9-16(17)2/h7-10,13-15,25H,5-6,11-12H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C24H28O3/c1-5-6-11-24(3,4)19-14-21(25)20-13-18(23(26)27-22(20)15-19)12-17-10-8-7-9-16(17)2/h7-10,13-15,25H,5-6,11-12H2,1-4H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/yzfrghmjykgnib-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C24H28O3/c1-5-6-11-24(3,4)19-14-21(25)20-13-18(23(26)27-22(20)15-19)12-17-10-8-7-9-16(17)2/h7-10,13-15,25H,5-6,11-12H2,1-4H3

description: dataset for mass spectrometry (MS) HRMS (ESI, C24H28O3) calc.: 365.2111 [M+H]+; found. 365.2107 [M+H]+. Analysis taken from literature: ISBN 978-3-8325-5103-2
DOI: 10.14272/yzfrghmjykgnib-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H28O3/c1-5-6-11-24(3,4)19-14-21(25)20-13-18(23(26)27-22(20)15-19)12-17-10-8-7-9-16(17)2/h7-10,13-15,25H,5-6,11-12H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, acetone-D6, ppm) δ = 162.1 (Cq, COO), 155.4 (Cq, Car), 155.2 (Cq, Car), 154.4 (Cq, 8a-Car), 137.6 (Cq, Car), 137.4 (Cq, Car), 134.4 (+, CH), 131.3 (+, CarH), 131.0 (+, CarH), 127.8 (+, CarH), 127.1 (+, CarH), 126.1 (Cq, 3-C), 108.6 (+, CarH), 107.6 (Cq, 4a-Car), 105.9 (+, CarH), 44.7 (–, 7-CCH2), 38.9 (Cq, C(CH3)2), 34.5 (–, 3-CCH2), 29.2 (+, 2C, C(CH3)2), 27.7 (–, CH2), 24.0 (–, CH2), 19.6 (+, CarCH3), 14.3 (+, CH3). Analysis taken from literature: ISBN 978-3-8325-5103-2
DOI: 10.14272/yzfrghmjykgnib-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C24H28O3/c1-5-6-11-24(3,4)19-14-21(25)20-13-18(23(26)27-22(20)15-19)12-17-10-8-7-9-16(17)2/h7-10,13-15,25H,5-6,11-12H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3289 (w), 2956 (w), 2927 (m), 2870 (w), 2859 (w), 1676 (vs), 1618 (vs), 1575 (w), 1492 (w), 1459 (w), 1422 (vs), 1388 (w), 1340 (w), 1288 (w), 1269 (m), 1248 (m), 1208 (w), 1170 (m), 1106 (m), 1078 (m), 1058 (s), 956 (w), 936 (w), 904 (w), 843 (m), 800 (w), 761 (w), 744 (m), 727 (m), 704 (w), 674 (m), 633 (w), 619 (w), 606 (w), 591 (w), 572 (w), 557 (w), 528 (m), 504 (w), 486 (w), 460 (m), 443 (w), 438 (w), 431 (w), 421 (w), 402 (w), 392 (w), 382 (m) cm–1.
DOI: 10.14272/yzfrghmjykgnib-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H28O3/c1-5-6-11-24(3,4)19-14-21(25)20-13-18(23(26)27-22(20)15-19)12-17-10-8-7-9-16(17)2/h7-10,13-15,25H,5-6,11-12H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, acetone-D6, ppm) δ = 9.19 (s, 1H, OH), 7.51–7.49 (m, 1H, CH), 7.27–7.21 (m, 2H, 2 × CHar), 7.21–7.18 (m, 2H, 2 × CHar), 6.80 (s, 2H, 2 × CHar), 3.84 (d, 4J = 1.5 Hz, 2H, CCH2), 2.30 (s, 3H, CarCH3), 1.65–1.58 (m, 2H, 7-CCH2), 1.28 (s, 6H, C(CH3)2), 1.21 (quin., 3J = 7.2 Hz, 2H, CH2), 1.09–0.99 (m, 2H, CH2), 0.81 (t, 3J = 7.4 Hz, 3H, CH3). Analysis taken from literature: ISBN 978-3-8325-5103-2
DOI: 10.6073/pasta/61705af69ee88cf47baf4aed2822d9af
title: Chamber measurements of carbon dioxide (CO2) and methane (CH4) in Everglades following Hurricane Irma: 2017 - 2019

description: On September 9, 2017, highwinds from Hurricane Irma impacted the Florida Everglades. With 24 hours of heavy rain along with strong winds and storm surge, the storm caused higher than normal water levels, wind-induced defoliation, uprooting of plants and soil disturbance in Everglades short-stature freshwater wetlands. The hurricane redistributed short-stature vegetation into dead mats in Everglades National Park. The high post-storm water levels saturated many of these dead mats, slowing decomposition and increasing their persistence on the landscape. In this study, we measure carbon dioxide (CO2) and methane (CH4) fluxes at dead mats and compared them to the ridge and slough of freshwater marsh and to the marl prairie.
DOI: 10.34740/kaggle/dsv/3879700
title: COVID Vaccination in World (updated daily)
DOI: 10.5258/soton/373716
title: ORCID Pilot at the University of Southampton Blog Archive

description: Our blog for the JISC/ARMA ORCID Pilot at the University of Southampton, along with the Summary Report forms the project reports. For enhanced preservation the posts have been archived in XML and PDF.
DOI: 10.25403/upresearchdata.20152454
title: Encephalartos natalensis-cyanobacterial coralloid root partnership for nitrogen acquisition

description: This supplementary data consist of the following files: Dataset file 2.1, contains a comprehensive list of candidate plant-symbiosis genes investigated in this dissertation. Dataset file 2.2, contains the relative expression levels of differential genes from all plant species investigated in this dissertation. Dataset file 2.3, contains the family-level taxonomic classification of <em>Encephalartos natalensis</em> coralloid root samples CR002, CR003 and CR005.
DOI: 10.25403/upresearchdata.20152454.v1
title: Encephalartos natalensis-cyanobacterial coralloid root partnership for nitrogen acquisition

description: This supplementary data consist of the following files: Dataset file 2.1, contains a comprehensive list of candidate plant-symbiosis genes investigated in this dissertation. Dataset file 2.2, contains the relative expression levels of differential genes from all plant species investigated in this dissertation. Dataset file 2.3, contains the family-level taxonomic classification of <em>Encephalartos natalensis</em> coralloid root samples CR002, CR003 and CR005.
DOI: 10.5281/zenodo.6685676
title: Gastruloids as in vitro models of embryonic blood development with spatial and temporal resolution

description: Rawdata (images and flow cytometry) for the manuscript "Gastruloids as in vitro models of embryonic blood development with spatial and temporal resolution". <br>
DOI: 10.5281/zenodo.6685675
title: Gastruloids as in vitro models of embryonic blood development with spatial and temporal resolution

description: Rawdata (images and flow cytometry) for the manuscript "Gastruloids as in vitro models of embryonic blood development with spatial and temporal resolution". <br>
DOI: 10.5281/zenodo.6644516
title: HISTORIAN: a large-scale HISTORIcal film dataset with cinematographic ANnotation

description: Developing automated tools for sustainable film preservation of extensive historical film collections assumes an understanding of fundamental cinematographic settings. In order to be able to investigate new approaches to detect and classify cinematographic settings, this paper proposes a novel large-scale historical film dataset with cinematographic annotations (HISTORIAN), i.e., shot boundaries, shot types, camera movements. The dataset consists of 98 digitized original analog film reels related to the Second World War and 10593 film shots manually annotated by human film experts. Moreover, annotations for overscan areas such as sprocket holes are included. A baseline film analysis pipeline is introduced and evaluated. To the best of our knowledge, HISTORIAN is the first dataset that covers the challenges and characteristics of historical film documentaries and provides novel possibilities for exploring automatic film analysis tools. This repository presents a tiny set including a few examples for demonstration. A link to the Github repository (including helper scripts and readme) can be found here
DOI: 10.5281/zenodo.6184280
title: HISTORIAN: a large-scale HISTORIcal film dataset with cinematographic ANnotation

description: Developing automated tools for sustainable film preservation of extensive historical film collections assumes an understanding of fundamental cinematographic settings. In order to be able to investigate new approaches to detect and classify cinematographic settings, this paper proposes a novel large-scale historical film dataset with cinematographic annotations (HISTORIAN), i.e., shot boundaries, shot types, camera movements. The dataset consists of 98 digitized original analog film reels related to the Second World War and 10593 film shots manually annotated by human film experts. Moreover, annotations for overscan areas such as sprocket holes are included. A baseline film analysis pipeline is introduced and evaluated. To the best of our knowledge, HISTORIAN is the first dataset that covers the challenges and characteristics of historical film documentaries and provides novel possibilities for exploring automatic film analysis tools. This repository presents a tiny set including a few examples for demonstration. A link to the Github repository (including helper scripts and readme) can be found here
DOI: 10.6084/m9.figshare.14458611
title: Occurrence, effects and environmental risk of antifouling biocides (EU PT21): Are marine ecosystems threatened?

description: This review presents a comprehensive compilation of toxicological and environmental data, further used to assess the ecological risk (ERA) of the 11 EU approved antifouling biocides (PT21). Diuron, chlorothalonil, DCOIT, and pyrithiones are amongst the most toxic biocides toward producer species, while, CuSCN, medetomidine, and zineb showed higher toxicity toward consumers. In addition, medetomidine, CuSNC, zineb, Cu<sub>2</sub>O, and chlorothalonil are up to 400-fold more toxic to non-target organisms than target organisms highlighting their potential threat for marine ecosystems. Biocides hazard, which was assessed based on the marine PNEC<sub>probabilistic</sub> for biocides having enough and reliable ecotoxicological data, can be summarized in the following order: ZnPT (more hazardous) &gt; CuPT &gt; DCOIT &gt; diuron &gt; chlorothalonil &gt; dichlofluanid &gt; tolylfluanid. For the remaining biocides, the marine hazard was calculated based on the PNEC<sub>deterministic</sub> as follows: CuSCN (more hazardous) &gt; Cu<sub>2</sub>O &gt; medetomidine &gt; zineb. The risk assessment indicates that the following biocides poses risk (quotient &gt;1) for the coastal ecosystems: DCOIT, diuron, dichlofluanid, chlorothalonil, CuSCN, Cu<sub>2</sub>O, medetomidine and zineb. In order to protect the services and functions of coastal environments, a systematic and continuous monitoring of these biocides in coastal areas are highly recommended. Current regulatory framework and the replacement of state-of-the-art biocides by safer alternative is also critically discussed.
DOI: 10.6084/m9.figshare.14458611.v1
title: Occurrence, effects and environmental risk of antifouling biocides (EU PT21): Are marine ecosystems threatened?

description: This review presents a comprehensive compilation of toxicological and environmental data, further used to assess the ecological risk (ERA) of the 11 EU approved antifouling biocides (PT21). Diuron, chlorothalonil, DCOIT, and pyrithiones are amongst the most toxic biocides toward producer species, while, CuSCN, medetomidine, and zineb showed higher toxicity toward consumers. In addition, medetomidine, CuSNC, zineb, Cu<sub>2</sub>O, and chlorothalonil are up to 400-fold more toxic to non-target organisms than target organisms highlighting their potential threat for marine ecosystems. Biocides hazard, which was assessed based on the marine PNEC<sub>probabilistic</sub> for biocides having enough and reliable ecotoxicological data, can be summarized in the following order: ZnPT (more hazardous) &gt; CuPT &gt; DCOIT &gt; diuron &gt; chlorothalonil &gt; dichlofluanid &gt; tolylfluanid. For the remaining biocides, the marine hazard was calculated based on the PNEC<sub>deterministic</sub> as follows: CuSCN (more hazardous) &gt; Cu<sub>2</sub>O &gt; medetomidine &gt; zineb. The risk assessment indicates that the following biocides poses risk (quotient &gt;1) for the coastal ecosystems: DCOIT, diuron, dichlofluanid, chlorothalonil, CuSCN, Cu<sub>2</sub>O, medetomidine and zineb. In order to protect the services and functions of coastal environments, a systematic and continuous monitoring of these biocides in coastal areas are highly recommended. Current regulatory framework and the replacement of state-of-the-art biocides by safer alternative is also critically discussed.
DOI: 10.5258/soton/375602
title: Data for High-power, variable repetition rate, picosecond optical parametric oscillator pumped by an amplified gain-switched diode.

description: Data for figures 2 to 6 of L. Xu, H.-Y. Chan, S.-U. Alam, D. J. Richardson, and D. P. Shepherd, "Fiber-laser-pumped, high-energy, mid-IR, picosecond optical parametric oscillator with a high-harmonic cavity," Opt. Lett. 40, 3288-3291 (2015)
DOI: 10.5281/zenodo.6655441
title: EFSA cgMLST gene lists for Escherichia coli and Salmonella enterica chewieNS schema

description: Annex A contains the list of cgMLST loci of <em>Escherichia coli</em> and <em>Salmonella enterica</em> used in the cgMLST analysis in the EFSA One Health WGS System.
description: EU; txt; biohaw@efsa.europa.eu
DOI: 10.5281/zenodo.6655440
title: EFSA cgMLST gene lists for Escherichia coli and Salmonella enterica chewieNS schema

description: Annex A contains the list of cgMLST loci of <em>Escherichia coli</em> and <em>Salmonella enterica</em> used in the cgMLST analysis in the EFSA One Health WGS System.
description: EU; txt; biohaw@efsa.europa.eu
DOI: 10.5281/zenodo.6771833
title: A dataset of anonymised hospitalised COVID-19 patient data: outcomes, demographics and biomarker measurements for two New York hospitals

description: These datasets are for a cohort of n=1540 anonymised hospitalised COVID-19 patients, and the data provide information on outcomes (i.e. patient death or discharge), demographics and biomarker measurements for two New York hospitals: State<br> University of New York (SUNY) Downstate Health Sciences University and Maimonides<br> Medical Center. The file "demographics_both_hospitals.csv" contains the ultimate outcomes of hospitalisation (whether a patient was discharged or died), demographic information and known comorbidities for each of the patients. The file "dynamics_clean_both_hospitals.csv" contains cleaned dynamic biomarker measurements for the n=1233 patients where this information was available and the data passed our various checks (see https://doi.org/10.1101/2021.11.12.21266248 for information of these checks and the cleaning process). Patients can be matched to demographic data via the "id" column. <strong>Study approval and data collection</strong> Study approval was obtained from the State University of New York (SUNY) Downstate Health Sciences University Institutional Review Board (IRB\#1595271-1) and Maimonides Medical Center Institutional Review Board/Research Committee (IRB\#2020-05-07). A retrospective query was performed among the patients who were admitted to SUNY Downstate Medical Center and Maimonides Medical Center with COVID-19-related symptoms, which was subsequently confirmed by RT PCR, from the beginning of February 2020 until the end of May 2020. Stratified randomization was used to select at least 500 patients who were discharged and 500 patients who died due to the complications of COVID-19. Patient outcome was recorded as a binary choice of “discharged” versus “COVID-19 related mortality”. Patients whose outcome was unknown were excluded. Demographic, clinical history and laboratory data was extracted from the hospital’s electronic health records.
DOI: 10.25326/333
title: LIAISE_LA-CENDROSA_CNRM_MTO-1MIN_L2

description: LIAISE - soil measurements at LA-CENDROSA station - This dataset contains data 1 minute of air temperature at 20cm, 2m, 10m, 25m and 45m, relative and specific humidity at 20cm, 2m,10m, 25m and 45m, pressure, wind at 3m,10m,25m and 50m, upward and downward short-wave and longwave radiations, soil temperature and humidity at 5 cm, 10 cm and 30 cm depth, soil heat flux. These measurement have been done at La Cendrosa, Spain during LIAISE campain.
DOI: 10.5281/zenodo.6774854
title: genes.faa

description: genome database files for Wrighton metaproteomics analysis
DOI: 10.5281/zenodo.6774853
title: genes.faa

description: genome database files for Wrighton metaproteomics analysis
DOI: 10.6084/m9.figshare.18743294
title: Estimation of thermal efficiency of dry leaves with dairy scum pellets and comparative study on their thermal disintegration under TGA apparatus and cook stove

description: Supportive documents of paper entitled "Estimation of thermal efficiency of dry leaves with dairy scum pellets and comparative study on their thermal disintegration under TGA apparatus and cook stove".<b></b>
DOI: 10.6084/m9.figshare.18743294.v4
title: Estimation of thermal efficiency of dry leaves with dairy scum pellets and comparative study on their thermal disintegration under TGA apparatus and cook stove

description: Supportive documents of paper entitled "Estimation of thermal efficiency of dry leaves with dairy scum pellets and comparative study on their thermal disintegration under TGA apparatus and cook stove".<b></b>
DOI: 10.6084/m9.figshare.18743294.v3
title: Data sheets.zip

description: Supportive documents of paper entitled "Estimation of thermal efficiency of dry leaves with dairy scum pellets and comparative study on their thermal disintegration under TGA apparatus and cook stove".<b></b>
DOI: 10.6084/m9.figshare.20180450
title: Supplementary original data for 'Storage, patterns and influencing factors for soil organic carbon in coastal wetlands of China'

description: The data that support this study are available in the Supplementary materials that would be open access for researchers.
DOI: 10.6084/m9.figshare.20159807.v1
title: Submarine groundwater discharge in the northern Bohai Sea, China: implications for coastal carbon budgets and buffering capacity

description: The literature data is all carbon data along the Chinese coastline. These data were available in the northern Bohai Sea (this study), the South China Sea, the East China Sea and Jiaozhou Bay (the largest semi-enclosed bay along the Yellow Sea coast of China).
DOI: 10.14272/jjxjpuakpfbqim-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H18Cl2O3/c1-12-13(6-8-18(12)22)5-7-15-16(20)10-14(11-17(15)21)24-19-4-2-3-9-23-19/h10-11,19H,2-4,6,8-9H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (75.5 MHz, CDCl3, ppm) δ = 9.8, 18.1, 24.82, 29.7, 29.8, 34.0, 61.9, 93.3, 96.6, 99.0, 114.6, 116.2 (2C), 138.0 (2C), 145.2, 149.5, 157.9, 208.9. Analysis taken from the literature: ISBN-10: 3867271291
DOI: 10.14272/jjxjpuakpfbqim-uhfffaoysa-n.1
title: 3-((2,6-dichloro-4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)ethynyl)-2-methylcyclopent-2-en-1-one
title: InChI=1S/C19H18Cl2O3/c1-12-13(6-8-18(12)22)5-7-15-16(20)10-14(11-17(15)21)24-19-4-2-3-9-23-19/h10-11,19H,2-4,6,8-9H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C19H18Cl2O3/c1-12-13(6-8-18(12)22)5-7-15-16(20)10-14(11-17(15)21)24-19-4-2-3-9-23-19/h10-11,19H,2-4,6,8-9H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/jjxjpuakpfbqim-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H18Cl2O3/c1-12-13(6-8-18(12)22)5-7-15-16(20)10-14(11-17(15)21)24-19-4-2-3-9-23-19/h10-11,19H,2-4,6,8-9H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (300 MHz, CDCl3, ppm) δ = 1.53–1.80 (m, 3H), 1.80–1.89 (m, 2H), 1.89–2.08 (m, 1H), 1.96 (t, J = 2.0 Hz, 3H), 2.44–2.51 (m, 2H), 2.73–2.80 (m, 2H), 3.63 (dt, J = 11.2 Hz, 1.5 Hz, 1H), 3.78 (ddd, J = 11.2 Hz, 10.6 Hz, 3.0 Hz, 1H), 5.43 (t, J = 2.9 Hz, 1H), 7.10 (s, 2H). Analysis taken from the literature: ISBN-10: 3867271291
DOI: 10.14272/jjxjpuakpfbqim-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C19H18Cl2O3/c1-12-13(6-8-18(12)22)5-7-15-16(20)10-14(11-17(15)21)24-19-4-2-3-9-23-19/h10-11,19H,2-4,6,8-9H2,1H3

description: dataset for mass spectrometry (MS) MS (ESI, MeOH/H2O/HCOOH): m/z (%) = 281.0/283.0 (100/69) [M + H – C5H8O]+, 365.1/367.1 (91/60) [M + H]+, 729.1/731.1 (51/64) [2M + H]+.HRMS (C19H18Cl2O3): Calcd 365.07058 [M + H]+, Found 365.07057 [M + H]+. Analysis taken from the literature: ISBN-10: 3867271291
DOI: 10.17632/ktxnw8gzd2.1
title: Circular visual business model representation selector

description: This dataset contains a database of visual business model representations designed (or used) for modelling circular business models. This database is associated with a selection procedure to select visual business model representations according to several sustainability and circularity related factors.
DOI: 10.14272/jjxjpuakpfbqim-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C19H18Cl2O3/c1-12-13(6-8-18(12)22)5-7-15-16(20)10-14(11-17(15)21)24-19-4-2-3-9-23-19/h10-11,19H,2-4,6,8-9H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (KBr): ṽ = 2952, 2878, 2194, 1694, 1585, 1537, 1465, 1379, 1288, 1237, 1203, 1180, 1119, 1022, 972, 941, 899, 870, 802, 616 cm-1. Analysis taken from literature: ISBN-10: 3867271291
DOI: 10.14272/sjtjwjdchhqjhe-uhfffaoysa-n.1
title: 2-methyl-3-((4-((tetrahydro-2H-pyran-2-yl)oxy)-2-(trifluoromethyl)phenyl)ethynyl)cyclohex-2-en-1-one
title: InChI=1S/C21H21F3O3/c1-14-15(5-4-6-19(14)25)8-9-16-10-11-17(13-18(16)21(22,23)24)27-20-7-2-3-12-26-20/h10-11,13,20H,2-7,12H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C21H21F3O3/c1-14-15(5-4-6-19(14)25)8-9-16-10-11-17(13-18(16)21(22,23)24)27-20-7-2-3-12-26-20/h10-11,13,20H,2-7,12H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)