cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.5833250
title: Italian hospitals access Isochrones within 30 minutes

description: The dataset collects isochrones (downloaded from https://openrouteservice.org/) within 30 minutes by car to access hospital. There are about 1600 Italian hospitals. Other information are related to hospitals, such as: -filter category ids -organization name -organization type -organization code -medical branch -medical branch code -beds ordinary -beds paid -beds day hospital -beds day surgery -beds total
DOI: 10.5281/zenodo.5833249
title: Italian hospitals access Isochrones within 30 minutes

description: The dataset collects isochrones (downloaded from https://openrouteservice.org/) within 30 minutes by car to access hospital. There are about 1600 Italian hospitals. Other information are related to hospitals, such as: -filter category ids -organization name -organization type -organization code -medical branch -medical branch code -beds ordinary -beds paid -beds day hospital -beds day surgery -beds total
DOI: 10.5281/zenodo.5833049
title: Laboratory comparison of low-cost particulate matter sensors to measure transient events of pollution - Dataset

description: This repository contains the data associated with the paper: Laboratory comparison of low-cost particulate matter sensors to measure transient events of pollution. Bulot, F.M.J.; Russell, H.S.; Rezaei, M.; Johnson, M.S.; Ossont, S.J.J.; Morris, A.K.R.; Basford, P.J.; Easton, N.H.C.; Foster, G.L.; Loxham, M.; Cox, S.J. Laboratory Comparison of Low-Cost Particulate Matter Sensors to Measure Transient Events of Pollution. <em>Sensors</em> <strong>2020</strong>, <em>20</em>, 2219. https://doi.org/10.3390/s20082219 It contains: - DHT22.csv measurements from the DHT22 humidity and temperature sensor - dusttrak.csv measurements from the DustTrak - ops.csv measurements from the OPS TSI 3330 - sensors.csv measurement from the low-cost PM sensors - sensors_blank.csv measurements from the low-cost PM sensors during the blank test sensors_blank.csv contains the following variables: Bin1 to Bin15: particle numbers for different bin sizes reported by the Alphasense OPCR1, as defined by its user's manual available here https://www.alphasense.com/products/optical-particle-counter/ SamplingPeriod: sampling period of the Alphasense OPCR1 in seconds SFR: sampling flow rate of the Alphasense OPCR1 in ml/s PM1, PM25, PM4, PM10: PM concentrations reported by the sensors in ug/m3. gr03um to gr100um: particle number concentrations for different bin sizes for the Plantower PMS5003, in particle per 100ml, as defined by its user's manual https://aqicn.org/air/view/sensor/spec/pms5003-manual_v2-3 n05 to n10: particle number concentrations for different bin sizes for the Sensirion SPS30, in particles per cm3, as defined by its user's manual: https://www.sensirion.com/fileadmin/user_upload/customers/sensirion/Dokumente/9.6_Particulate_Matter/Datasheets/Sensirion_PM_Sensors_Datasheet_SPS30.pdf humidity and temperature: relative humidity (%) and temperature (Celsius) recorded by the SHT35 sensors sensor: sensor identifier site: name of the air quality monitor containing the sensors exp: name of the experiment considered source: source of PM used variation: peak or stable concentration date: date and time of the experiment
DOI: 10.5519/qd.ofrx40g8
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5281/zenodo.5769854
title: Growth orientations, rather than heterogeneous growth rates, dominate jaw joint morphogenesis in the larval zebrafish

description: Supplementary material for paper entitled "Growth orientations, rather than heterogeneous growth rates, dominate jaw joint morphogenesis in the larval zebrafish". Raw data, scripts, models and results are made available along with supplementary figures.
description: This research was funded by an Anatomical Society PhD studentship to J.G.. C.L.H. was funded by Versus Arthritis Fellowship 29137. E.L. was funded by a Wellcome Trust Dynamic Cell PhD studentship. M.W. was funded by the China Scholarship Council.
DOI: 10.5281/zenodo.5769853
title: Growth orientations, rather than heterogeneous growth rates, dominate jaw joint morphogenesis in the larval zebrafish

description: Supplementary material for paper entitled "Growth orientations, rather than heterogeneous growth rates, dominate jaw joint morphogenesis in the larval zebrafish". Raw data, scripts, models and results are made available along with supplementary figures.
description: This research was funded by an Anatomical Society PhD studentship to J.G.. C.L.H. was funded by Versus Arthritis Fellowship 29137. E.L. was funded by a Wellcome Trust Dynamic Cell PhD studentship. M.W. was funded by the China Scholarship Council.
DOI: 10.5281/zenodo.5833303
title: A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase

description: Data underlying the figures in the publication “A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase”, published in <em>ACS Cent. Sci. </em><em><strong>2021</strong></em><em>, 7, 11, 1874–1884.</em> https://pubs.acs.org/doi/full/10.1021/acscentsci.1c00825 Table of contents: <strong>1. Triplicates_20210118-YC-NCCR.xlsx</strong>: Experimental data for <em>Figures 3e</em>. <strong>2. HRMS_Data.pdf</strong>: HRMS data for <em>Table 3</em>. <strong>3. Table4_Raw.xlsx</strong>: Raw data for <em>Table 4</em>. <strong>4. Table1_Table2_Raw.xlsx</strong>: HRMS data for <em>Table 1</em> and <em>Table 2</em>. <strong>5. Preparative.xlsx</strong>: Raw data for <em>Table 2, </em>entries 10 and 11.
DOI: 10.5281/zenodo.5833302
title: A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase

description: Data underlying the figures in the publication “A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase”, published in <em>ACS Cent. Sci. </em><em><strong>2021</strong></em><em>, 7, 11, 1874–1884.</em> https://pubs.acs.org/doi/full/10.1021/acscentsci.1c00825 Table of contents: <strong>1. Triplicates_20210118-YC-NCCR.xlsx</strong>: Experimental data for <em>Figures 3e</em>. <strong>2. HRMS_Data.pdf</strong>: HRMS data for <em>Table 3</em>. <strong>3. Table4_Raw.xlsx</strong>: Raw data for <em>Table 4</em>. <strong>4. Table1_Table2_Raw.xlsx</strong>: HRMS data for <em>Table 1</em> and <em>Table 2</em>. <strong>5. Preparative.xlsx</strong>: Raw data for <em>Table 2, </em>entries 10 and 11.
DOI: 10.15129/3fb60279-8b9e-4834-bbb3-c6309c5b1e38
title: Data for: "Strong coupling and active cooling in a finite temperature hybrid atom-cavity system"

description: Data used to produce figures in "Strong coupling and active cooling in a finite temperature hybrid atom-cavity system"
DOI: 10.48370/ofd/m9fclm
title: Plasmopara pygmaea (Unger) J.Schröt., 2932

description: Fungarium Micromycetes
DOI: 10.15131/shef.data.14945844
title: Dataset behind the results of: Automatic methods of hoof-on and -off detection in horses using wearable inertial sensors during walk and trot on asphalt, sand and grass

description: This dataset contains the data behind the results of the associated paper. It includes the timing of gait events as detected by the different methods explored in the paper, for a group of horses at walk and trot. A ReadMe file explains fully the layout of the data and naming conventions used.<br>
DOI: 10.14272/opdvsbxfrvfbfu-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (1-dimethoxyphosphoryl-4-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-4-6-9(7-5-8)14(10,12-2)13-3/h4-7H,1-3H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/opdvsbxfrvfbfu-uhfffaoysa-n.1
title: 1-dimethoxyphosphoryl-4-methoxybenzene
title: InChI=1S/C9H13O4P/c1-11-8-4-6-9(7-5-8)14(10,12-2)13-3/h4-7H,1-3H3

description: This dataset contains experimental data from a sample (1-dimethoxyphosphoryl-4-methoxybenzene, InChI=1S/C9H13O4P/c1-11-8-4-6-9(7-5-8)14(10,12-2)13-3/h4-7H,1-3H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) heteronuclear single quantum coherence (HSQC) 31P nuclear magnetic resonance spectroscopy (31P NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/opdvsbxfrvfbfu-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-dimethoxyphosphoryl-4-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-4-6-9(7-5-8)14(10,12-2)13-3/h4-7H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, cm-1) ṽ = 3458 (vw), 2999 (vw), 2953 (w), 2919 (vw), 2905 (vw), 2849 (w), 1599 (s), 1571 (w), 1536 (vw), 1506 (m), 1459 (w), 1446 (w), 1411 (w), 1381 (vw), 1296 (m), 1244 (vs), 1179 (s), 1130 (vs), 1111 (m), 1020 (vs), 812 (vs), 769 (s), 722 (w), 700 (w), 683 (w), 654 (m), 629 (m), 605 (w), 594 (w), 544 (vs), 470 (m), 432 (m), 401 (w), 385 (w).
DOI: 10.14272/opdvsbxfrvfbfu-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (1-dimethoxyphosphoryl-4-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-4-6-9(7-5-8)14(10,12-2)13-3/h4-7H,1-3H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 22.57 (hept, J = 11.4 Hz).
DOI: 10.14272/opdvsbxfrvfbfu-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-dimethoxyphosphoryl-4-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-4-6-9(7-5-8)14(10,12-2)13-3/h4-7H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.76–7.72 (m, 1H, HAr), 7.72–7.69 (m, 1H, HAr), 6.99–6.93 (m, 2H, HAr), 3.83 (s, 3H, OCH3), 3.72 (d, J = 11.1 Hz, 6H, POCH3).
DOI: 10.14272/opdvsbxfrvfbfu-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-dimethoxyphosphoryl-4-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-4-6-9(7-5-8)14(10,12-2)13-3/h4-7H,1-3H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 30 °C, %) m/z = 216 (100) [M]+, 185 (20) [M – CH3O]+, 155 (7) [M – C2H5O2]+, 110 (21) [C2H7O3P]+, 79 (17) [C6H7]+. HRMS (EI, [M]+, C9H13O4P) calcd.: 216.0546; found: 216.0547.
DOI: 10.14272/opdvsbxfrvfbfu-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-dimethoxyphosphoryl-4-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-4-6-9(7-5-8)14(10,12-2)13-3/h4-7H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 163.1 (d, J = 3.2 Hz, Cq, CAr), 134.0 (+, d, J = 11.0 Hz, 2C, CH, CAr), 118.1 (d, J = 196.1 Hz, Cq, CAr), 114.2 (+, d, J = 16.2 Hz, 2C, CH, CAr), 55.5 (+, CH3, OCH3), 52.7 (d, J = 5.4 Hz, 2C, CH3, POCH3).
DOI: 10.14272/qjgwdewffpkfqg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl 4-dimethoxyphosphorylbenzoate)
title: InChI=1S/C10H13O5P/c1-13-10(11)8-4-6-9(7-5-8)16(12,14-2)15-3/h4-7H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.17–8.09 (m, 2H, HAr), 7.91–7.81 (m, 2H, HAr), 3.94 (s, 3H, CO2CH3), 3.78 (d, J = 11.2 Hz, 6H, POCH3).
DOI: 10.14272/qjgwdewffpkfqg-uhfffaoysa-n.1
title: methyl 4-dimethoxyphosphorylbenzoate
title: InChI=1S/C10H13O5P/c1-13-10(11)8-4-6-9(7-5-8)16(12,14-2)15-3/h4-7H,1-3H3

description: This dataset contains experimental data from a sample (methyl 4-dimethoxyphosphorylbenzoate, InChI=1S/C10H13O5P/c1-13-10(11)8-4-6-9(7-5-8)16(12,14-2)15-3/h4-7H,1-3H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) electron ionisation mass spectrometry (EI-MS) infrared absorption spectroscopy (IR) 31P nuclear magnetic resonance spectroscopy (31P NMR) heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/qjgwdewffpkfqg-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (methyl 4-dimethoxyphosphorylbenzoate)
title: InChI=1S/C10H13O5P/c1-13-10(11)8-4-6-9(7-5-8)16(12,14-2)15-3/h4-7H,1-3H3

description: dataset for electron ionisation mass spectrometry (EI-MS) MS (EI, 70 eV, 30 °C, %) m/z = 244 (77) [M]+, 243 (62) [M–H]+, 213 (100) [M–CH3O]+, 185 (23) [C8H10O3P]+.HRMS (EI, [M]+, C10H13O5P) calcd.: 244.0495; found: 244.0595.
DOI: 10.14272/qjgwdewffpkfqg-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (methyl 4-dimethoxyphosphorylbenzoate)
title: InChI=1S/C10H13O5P/c1-13-10(11)8-4-6-9(7-5-8)16(12,14-2)15-3/h4-7H,1-3H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 20.12 – 19.72 (m).
DOI: 10.14272/qjgwdewffpkfqg-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (methyl 4-dimethoxyphosphorylbenzoate)
title: InChI=1S/C10H13O5P/c1-13-10(11)8-4-6-9(7-5-8)16(12,14-2)15-3/h4-7H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3530 (vw), 3520 (vw), 3503 (vw), 3480 (vw), 3475 (vw), 3462 (vw), 3438 (vw), 3428 (vw), 3000 (vw), 2955 (w), 2853 (vw), 1724 (m), 1643 (vw), 1565 (vw), 1458 (w), 1438 (w), 1397 (w), 1385 (w), 1368 (w), 1309 (w), 1276 (s), 1244 (vs), 1181 (s), 1136 (m), 1103 (m), 1014 (vs), 854 (w), 823 (s), 778 (vs), 762 (vs), 722 (m), 697 (m), 652 (w), 585 (vs), 547 (s), 531 (s), 492 (m), 460 (m), 415 (s), 384 (s) cm–1.
DOI: 10.14272/qjgwdewffpkfqg-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (methyl 4-dimethoxyphosphorylbenzoate)
title: InChI=1S/C10H13O5P/c1-13-10(11)8-4-6-9(7-5-8)16(12,14-2)15-3/h4-7H,1-3H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/qjgwdewffpkfqg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl 4-dimethoxyphosphorylbenzoate)
title: InChI=1S/C10H13O5P/c1-13-10(11)8-4-6-9(7-5-8)16(12,14-2)15-3/h4-7H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 166.1 (Cq, CO2CH3), 133.9 (d, J = 3.3 Hz, Cq, CAr), 131.9 (d, J = 10.1 Hz, Cq, CAr), 131.3 (+, d, J = 188.2 Hz, 2C, CH, CAr), 129.5 (+, d, J = 15.3 Hz, 2C, CH, CAr), 53.0 (+, d, J = 6.0 Hz, 2C, CH3, POCH3), 52.6 (+, CH3, OCH3).
DOI: 10.15131/shef.data.15155808
title: Land degradation in South Africa: justice and climate change in tension - interview data

description: The research focuses on the impacts of woody plant encroachment on livelihoods in the savannas of Eastern Cape, drawing both on published literature and necessarily limited data through pilot interviews. Fieldwork was conducted during February 2019-April 2019. Data was collected from farmers and landowners through interviews using a semi-structured questionnaire. Informed consent to participate in this study was obtained from all participants (Ethics approval reference number 024154). Interviews were conducted in Xhosa and translated to English. <br>
DOI: 10.15131/shef.data.15155808.v2
title: Land degradation in South Africa: justice and climate change in tension - interview data

description: The research focuses on the impacts of woody plant encroachment on livelihoods in the savannas of Eastern Cape, drawing both on published literature and necessarily limited data through pilot interviews. Fieldwork was conducted during February 2019-April 2019. Data was collected from farmers and landowners through interviews using a semi-structured questionnaire. Informed consent to participate in this study was obtained from all participants (Ethics approval reference number 024154). Interviews were conducted in Xhosa and translated to English. <br>
DOI: 10.15131/shef.data.15155808.v1
title: Land degradation: challenges of addressing land injustices whilst mitigating climate change in South Africa - interview data

description: The research focuses on the impacts of woody plant encroachment on livelihoods in the savannas of Eastern Cape, drawing both on published literature and necessarily limited data through pilot interviews. Fieldwork was conducted during February 2019-April 2019. Data was collected from farmers and landowners through interviews using a semi-structured questionnaire. Informed consent to participate in this study was obtained from all participants (Ethics approval reference number 024154). Interviews were conducted in Xhosa and translated to English. <br>
DOI: 10.14272/zozajbluhhyjbl-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (1-dimethoxyphosphoryl-2-fluorobenzene)
title: InChI=1S/C8H10FO3P/c1-11-13(10,12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (471 MHz, CDCl3, ppm) δ -103.68 – -103.85 (m).
DOI: 10.14272/zozajbluhhyjbl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-dimethoxyphosphoryl-2-fluorobenzene)
title: InChI=1S/C8H10FO3P/c1-11-13(10,12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 163.4 (d, J = 253.3 Hz, Cq, CAr), 135.8 – 134.4 (+, m, 2C, CH, CAr), 124.36 (+, dd, J = 13.7, 3.6 Hz, CH, CAr), 116.3 (+, dd, J = 22.7, 8.2 Hz, CH, CAr), 115.1 (dd, J = 189.0, 18.2 Hz, Cq, CAr), 53.1 (+, d, J = 5.5 Hz, 2C, CH3, POCH3).
DOI: 10.14272/zozajbluhhyjbl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-dimethoxyphosphoryl-2-fluorobenzene)
title: InChI=1S/C8H10FO3P/c1-11-13(10,12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.91–7.80 (m, 1H, HAr), 7.61–7.53 (m, 1H, HAr), 7.27–7.22 (m, 1H, HAr), 7.17–7.10 (m, 1H, HAr), 3.81 (d, J = 11.4 Hz, 6H, POCH3).
DOI: 10.14272/zozajbluhhyjbl-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (1-dimethoxyphosphoryl-2-fluorobenzene)
title: InChI=1S/C8H10FO3P/c1-11-13(10,12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 16.85 (dq, J = 19.0, 9.6 Hz).
DOI: 10.14272/zozajbluhhyjbl-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (1-dimethoxyphosphoryl-2-fluorobenzene)
title: InChI=1S/C8H10FO3P/c1-11-13(10,12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

description: dataset for electron ionisation mass spectrometry (EI-MS) MS (EI, 70 eV, 20 °C, %) m/z = 204 (100) [M]+, 203 (51) [M–H]+, 185 (28) [M–F]+, 173 (8) [M–CH3O]+, 109 (87) [C2H6O3P]+, 95 (28) [C6H4F]+.HRMS (EI, [M]+, C8H10O3FP) calcd.: 204.0346; found: 204.0346.
DOI: 10.14272/zozajbluhhyjbl-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-dimethoxyphosphoryl-2-fluorobenzene)
title: InChI=1S/C8H10FO3P/c1-11-13(10,12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3480 (vw), 3471 (vw), 3456 (vw), 3449 (vw), 3435 (vw), 3425 (vw), 2956 (w), 2853 (w), 1819 (vw), 1735 (vw), 1725 (vw), 1693 (vw), 1686 (vw), 1640 (w), 1635 (w), 1606 (m), 1578 (w), 1534 (vw), 1524 (vw), 1476 (s), 1445 (s), 1245 (vs), 1224 (s), 1183 (m), 1162 (m), 1136 (s), 1091 (s), 1023 (vs), 914 (w), 904 (w), 870 (w), 829 (vs), 766 (vs), 721 (w), 683 (m), 636 (w), 626 (w), 620 (w), 572 (s), 537 (s), 496 (s), 482 (s), 455 (m), 442 (m), 416 (m), 407 (m), 398 (m), 377 (w) cm–1.
DOI: 10.14272/zozajbluhhyjbl-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (1-dimethoxyphosphoryl-2-fluorobenzene)
title: InChI=1S/C8H10FO3P/c1-11-13(10,12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/zozajbluhhyjbl-uhfffaoysa-n.1
title: 1-dimethoxyphosphoryl-2-fluorobenzene
title: InChI=1S/C8H10FO3P/c1-11-13(10,12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3

description: This dataset contains experimental data from a sample (1-dimethoxyphosphoryl-2-fluorobenzene, InChI=1S/C8H10FO3P/c1-11-13(10,12-2)8-6-4-3-5-7(8)9/h3-6H,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) electron ionisation mass spectrometry (EI-MS) infrared absorption spectroscopy (IR) distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/szwwjnwottyfsa-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (1,3,5-tris(dimethoxyphosphoryl)benzene)
title: InChI=1S/C12H21O9P3/c1-16-22(13,17-2)10-7-11(23(14,18-3)19-4)9-12(8-10)24(15,20-5)21-6/h7-9H,1-6H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/szwwjnwottyfsa-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) (1,3,5-tris(dimethoxyphosphoryl)benzene)
title: InChI=1S/C12H21O9P3/c1-16-22(13,17-2)10-7-11(23(14,18-3)19-4)9-12(8-10)24(15,20-5)21-6/h7-9H,1-6H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %) m/z = 403 (100) [M+H]+.HRMS (FAB, [M+H]+, C12H22O9P3) calcd.: 403.0471; found: 403.0470.
DOI: 10.14272/szwwjnwottyfsa-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,3,5-tris(dimethoxyphosphoryl)benzene)
title: InChI=1S/C12H21O9P3/c1-16-22(13,17-2)10-7-11(23(14,18-3)19-4)9-12(8-10)24(15,20-5)21-6/h7-9H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 139.3 – 138.2 (+, m, 3C, CH, CAr), 129.3 (dt, J = 191.7, 13.5 Hz, 3C, Cq, CAr), 53.3 – 53.2 (+, m, 6C, CH3, POCH3).
DOI: 10.14272/szwwjnwottyfsa-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (1,3,5-tris(dimethoxyphosphoryl)benzene)
title: InChI=1S/C12H21O9P3/c1-16-22(13,17-2)10-7-11(23(14,18-3)19-4)9-12(8-10)24(15,20-5)21-6/h7-9H,1-6H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 18.33 – 17.23 (m).
DOI: 10.14272/szwwjnwottyfsa-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1,3,5-tris(dimethoxyphosphoryl)benzene)
title: InChI=1S/C12H21O9P3/c1-16-22(13,17-2)10-7-11(23(14,18-3)19-4)9-12(8-10)24(15,20-5)21-6/h7-9H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, cm-1) ṽ = 3054 (vw), 2999 (vw), 2956 (w), 2853 (vw), 1579 (w), 1462 (w), 1448 (w), 1402 (w), 1309 (vw), 1252 (vs), 1183 (m), 1126 (w), 1007 (vs), 849 (vs), 826 (vs), 788 (m), 779 (m), 741 (vs), 700 (s), 545 (vs), 523 (vs), 475 (s), 418 (s), 412 (s), 375 (m).
DOI: 10.14272/szwwjnwottyfsa-uhfffaoysa-n.1
title: 1,3,5-tris(dimethoxyphosphoryl)benzene
title: InChI=1S/C12H21O9P3/c1-16-22(13,17-2)10-7-11(23(14,18-3)19-4)9-12(8-10)24(15,20-5)21-6/h7-9H,1-6H3

description: This dataset contains experimental data from a sample (1,3,5-tris(dimethoxyphosphoryl)benzene, InChI=1S/C12H21O9P3/c1-16-22(13,17-2)10-7-11(23(14,18-3)19-4)9-12(8-10)24(15,20-5)21-6/h7-9H,1-6H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) distortionless enhancement with polarization transfer (DEPT) fast-atom bombardment mass spectrometry (FABMS) infrared absorption spectroscopy (IR)
DOI: 10.14272/szwwjnwottyfsa-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,3,5-tris(dimethoxyphosphoryl)benzene)
title: InChI=1S/C12H21O9P3/c1-16-22(13,17-2)10-7-11(23(14,18-3)19-4)9-12(8-10)24(15,20-5)21-6/h7-9H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.45 – 8.28 (m, 3H, HAr), 3.80 (d, J = 10.9 Hz, 18H, POCH3).