cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/gdswyczrszxyhx-uhfffaoysa-n.1
title: 1-dimethoxyphosphoryl-3-methoxybenzene
title: InChI=1S/C9H13O4P/c1-11-8-5-4-6-9(7-8)14(10,12-2)13-3/h4-7H,1-3H3

description: This dataset contains experimental data from a sample (1-dimethoxyphosphoryl-3-methoxybenzene, InChI=1S/C9H13O4P/c1-11-8-5-4-6-9(7-8)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) 31P nuclear magnetic resonance spectroscopy (31P NMR) electron ionisation mass spectrometry (EI-MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/gdswyczrszxyhx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-dimethoxyphosphoryl-3-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-5-4-6-9(7-8)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 = 7.42–7.34 (m, 2H, HAr), 7.34–7.29 (m, 1H, HAr), 7.11–7.07 (m, 1H, HAr), 3.84 (s, 3H, OCH3), 3.76 (d, J = 11.1 Hz, 6H, POCH3).
DOI: 10.14272/gdswyczrszxyhx-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-dimethoxyphosphoryl-3-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-5-4-6-9(7-8)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 = 159.6 (d, J = 19.0 Hz, Cq, CAr), 130.0 (+, d, J = 18.0 Hz, CH, CAr), 128.2 (d, J = 187.5 Hz, Cq, CAr), 124.2 (+, d, J = 9.3 Hz, CH, CAr), 119.2 (+, d, J = 3.3 Hz, CH, CAr), 116.5 (+, d, J = 11.5 Hz, CH, CAr), 55.5 (+, CH3, OCH3), 52.8 (+, d, J = 5.6 Hz, 2C, CH3, POCH3).
DOI: 10.14272/gdswyczrszxyhx-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (1-dimethoxyphosphoryl-3-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-5-4-6-9(7-8)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 = 21.93–21.16 (m)
DOI: 10.14272/gdswyczrszxyhx-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (1-dimethoxyphosphoryl-3-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-5-4-6-9(7-8)14(10,12-2)13-3/h4-7H,1-3H3

description: dataset for electron ionisation mass spectrometry (EI-MS) MS (EI, 70 eV, 20 °C, %) m/z = 216 (100) [M]+, 215 (66) [M–H]+,185 (16) [M–CH3O]+, 108 (24) [M–C2H6O3P]+.HRMS (EI, [M]+, C9H13O4P) calcd.: 216.0546; found: 216.0547.
DOI: 10.14272/gdswyczrszxyhx-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-dimethoxyphosphoryl-3-methoxybenzene)
title: InChI=1S/C9H13O4P/c1-11-8-5-4-6-9(7-8)14(10,12-2)13-3/h4-7H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3519 (vw), 3468 (w), 3452 (w), 3425 (vw), 3004 (vw), 2953 (w), 2850 (vw), 1643 (vw), 1595 (w), 1578 (w), 1486 (w), 1463 (w), 1422 (w), 1417 (w), 1320 (w), 1288 (w), 1235 (vs), 1183 (m), 1125 (w), 1115 (w), 1017 (vs), 992 (vs), 867 (m), 827 (vs), 765 (vs), 688 (s), 555 (vs), 526 (s), 480 (s), 411 (s) cm–1.
DOI: 10.14272/zeaoudshmvqddv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[dimethoxy(oxido)phosphaniumyl]benzonitrile)
title: InChI=1S/C9H10NO3P/c1-12-14(11,13-2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 132.5 (d, J = 188.6 Hz, Cq, CAr), 132.5 (+, d, J = 9.8 Hz, 2C, CH, CAr), 132.2 (+, d, J = 15.0 Hz, 2C, CH, CAr), 117.8 (Cq, CN), 116.4 (d, J = 3.5 Hz, Cq, CAr), 53.1 (d, J = 5.7 Hz, 2C, CH3, POCH3).
DOI: 10.14272/zeaoudshmvqddv-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (4-[dimethoxy(oxido)phosphaniumyl]benzonitrile)
title: InChI=1S/C9H10NO3P/c1-12-14(11,13-2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/zeaoudshmvqddv-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (4-[dimethoxy(oxido)phosphaniumyl]benzonitrile)
title: InChI=1S/C9H10NO3P/c1-12-14(11,13-2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

description: dataset for electron ionisation mass spectrometry (EI-MS) MS (EI, 70 eV, 20 °C, %) m/z = 211 (68) [M]+, 210 (62) [M–H]+, 181 (33) [M–CH2O]+, 180 (27) [M–CH3O]+, 79 (47) [C6H7]+.HRMS (EI, [M]+, C9H10O3NP) calcd.: 211.0393; found: 211.0394.
DOI: 10.14272/zeaoudshmvqddv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[dimethoxy(oxido)phosphaniumyl]benzonitrile)
title: InChI=1S/C9H10NO3P/c1-12-14(11,13-2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.90 (dd, J = 13.1, 8.3 Hz, 2H, HAr), 7.81 – 7.72 (m, 2H, HAr), 3.78 (d, J = 11.2 Hz, 6H, POCH3).
DOI: 10.14272/zeaoudshmvqddv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-[dimethoxy(oxido)phosphaniumyl]benzonitrile)
title: InChI=1S/C9H10NO3P/c1-12-14(11,13-2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3473 (vw), 2955 (w), 2851 (vw), 2232 (w), 1655 (vw), 1647 (w), 1638 (w), 1630 (w), 1601 (w), 1555 (vw), 1494 (w), 1459 (w), 1451 (w), 1394 (w), 1248 (vs), 1183 (m), 1122 (s), 1047 (vs), 1018 (vs), 918 (w), 884 (w), 824 (vs), 809 (vs), 790 (s), 759 (s), 722 (w), 710 (w), 679 (w), 671 (w), 662 (w), 616 (s), 560 (vs), 527 (w), 504 (s), 489 (s), 459 (m), 442 (m), 426 (m), 415 (m), 385 (w) cm–1.
DOI: 10.14272/zeaoudshmvqddv-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (4-[dimethoxy(oxido)phosphaniumyl]benzonitrile)
title: InChI=1S/C9H10NO3P/c1-12-14(11,13-2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 20.92 – 17.05 (m).
DOI: 10.14272/zeaoudshmvqddv-uhfffaoysa-n.1
title: 4-[dimethoxy(oxido)phosphaniumyl]benzonitrile
title: InChI=1S/C9H10NO3P/c1-12-14(11,13-2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

description: This dataset contains experimental data from a sample (4-[dimethoxy(oxido)phosphaniumyl]benzonitrile, InChI=1S/C9H10NO3P/c1-12-14(11,13-2)9-5-3-8(7-10)4-6-9/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) distortionless enhancement with polarization transfer (DEPT) electron ionisation mass spectrometry (EI-MS) infrared absorption spectroscopy (IR) 31P nuclear magnetic resonance spectroscopy (31P NMR)
DOI: 10.14272/bovxcnoyjdlwhv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-dimethoxyphosphoryl-3-methylbenzene)
title: InChI=1S/C9H13O3P/c1-8-5-4-6-9(7-8)13(10,11-2)12-3/h4-7H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.65–7.53 (m, 2H, HAr), 7.41–7.30 (m, 2H, HAr), 3.75 (d, J = 11.1 Hz, 6H, POCH3), 2.39 (d, J = 0.9 Hz, 3H, CH3).
DOI: 10.14272/bovxcnoyjdlwhv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-dimethoxyphosphoryl-3-methylbenzene)
title: InChI=1S/C9H13O3P/c1-8-5-4-6-9(7-8)13(10,11-2)12-3/h4-7H,1-3H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 20 °C, %) m/z = 200 (95) [M]+, 199 (100) [M–H]+, 185 (9) [C8H10O3P]+, 91 (63) [C7H7]+.HRMS (EI, [M]+, C9H13O3P) calcd.: 200.0597; found: 200.0596.
DOI: 10.14272/bovxcnoyjdlwhv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-dimethoxyphosphoryl-3-methylbenzene)
title: InChI=1S/C9H13O3P/c1-8-5-4-6-9(7-8)13(10,11-2)12-3/h4-7H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3471 (w), 3459 (w), 3451 (w), 3434 (w), 3425 (w), 3019 (vw), 2996 (vw), 2953 (w), 2922 (vw), 2873 (vw), 2850 (w), 1863 (vw), 1833 (vw), 1812 (vw), 1751 (vw), 1734 (vw), 1701 (vw), 1638 (w), 1601 (w), 1581 (w), 1479 (w), 1458 (w), 1451 (w), 1412 (w), 1381 (w), 1310 (vw), 1244 (vs), 1224 (s), 1183 (m), 1122 (s), 1092 (w), 1048 (vs), 1021 (vs), 999 (s), 875 (s), 827 (vs), 771 (vs), 696 (s), 565 (vs), 544 (s), 523 (s), 470 (m), 439 (m), 414 (m), 394 (w), 377 (m) cm–1.
DOI: 10.14272/bovxcnoyjdlwhv-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1-dimethoxyphosphoryl-3-methylbenzene)
title: InChI=1S/C9H13O3P/c1-8-5-4-6-9(7-8)13(10,11-2)12-3/h4-7H,1-3H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/bovxcnoyjdlwhv-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (1-dimethoxyphosphoryl-3-methylbenzene)
title: InChI=1S/C9H13O3P/c1-8-5-4-6-9(7-8)13(10,11-2)12-3/h4-7H,1-3H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 22.15 (dh, J = 23.4, 12.2 Hz).
DOI: 10.14272/bovxcnoyjdlwhv-uhfffaoysa-n.1
title: 1-dimethoxyphosphoryl-3-methylbenzene
title: InChI=1S/C9H13O3P/c1-8-5-4-6-9(7-8)13(10,11-2)12-3/h4-7H,1-3H3

description: This dataset contains experimental data from a sample (1-dimethoxyphosphoryl-3-methylbenzene, InChI=1S/C9H13O3P/c1-8-5-4-6-9(7-8)13(10,11-2)12-3/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) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 31P nuclear magnetic resonance spectroscopy (31P NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/bovxcnoyjdlwhv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-dimethoxyphosphoryl-3-methylbenzene)
title: InChI=1S/C9H13O3P/c1-8-5-4-6-9(7-8)13(10,11-2)12-3/h4-7H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 138.6 (d, J = 14.7 Hz, Cq, CAr), 133.6 (+, d, J = 2.8 Hz, CH, CAr), 132.5 (+, d, J = 10.0 Hz, CH, CAr), 129.1 (+, d, J = 9.9 Hz, CH, CAr), 128.6 (+, d, J = 15.6 Hz, CH, CAr), 126.8 (d, J = 187.2 Hz, Cq, CAr), 52.8 (+, d, J = 5.5 Hz, 2C, CH3, POCH3), 21.4 (+, CH3, CH3).
DOI: 10.14272/pcuatyazcdnkbf-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (2-dimethoxyphosphoryl-1,4-dimethylbenzene)
title: InChI=1S/C10H15O3P/c1-8-5-6-9(2)10(7-8)14(11,12-3)13-4/h5-7H,1-4H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 23.03 (p, J = 13.7, 13.3 Hz).
DOI: 10.14272/pcuatyazcdnkbf-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-dimethoxyphosphoryl-1,4-dimethylbenzene)
title: InChI=1S/C10H15O3P/c1-8-5-6-9(2)10(7-8)14(11,12-3)13-4/h5-7H,1-4H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 20 °C, %) m/z = 214 (97) [M]+, 213 (100) [M–H]+, 199 (41) [M–CH3]+, 183 (10) [M–CH3O]+, 105 (24) [M–C2H6O3P]+.HRMS (EI, [M]+, C10H15O3P) calcd.: 214.0753; found: 214.0753.
DOI: 10.14272/pcuatyazcdnkbf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-dimethoxyphosphoryl-1,4-dimethylbenzene)
title: InChI=1S/C10H15O3P/c1-8-5-6-9(2)10(7-8)14(11,12-3)13-4/h5-7H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 138.8 (d, J = 10.0 Hz, Cq, CAr), 135.2 (d, J = 14.8 Hz, Cq, CAr), 134.8 (+, d, J = 10.1 Hz, CH, CAr), 133.5 (+, d, J = 2.8 Hz, CH, CAr), 131.4 (+, d, J = 16.3 Hz, CH, CAr), 125.2 (d, J = 183.4 Hz, Cq, CAr), 52.5 (+, d, J = 5.5 Hz, 2C, CH3, POCH3), 20.9 (+, CH3, CH3) ,20.7 (+, d, J = 3.6 Hz, CH3, CH3).
DOI: 10.14272/pcuatyazcdnkbf-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-dimethoxyphosphoryl-1,4-dimethylbenzene)
title: InChI=1S/C10H15O3P/c1-8-5-6-9(2)10(7-8)14(11,12-3)13-4/h5-7H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.15131/shef.data.14695482
title: Urban Green DaMS: Recycled Bioretention Media SWMM Modelling Input Datafiles

description: All required data and model input files to replicate the findings of De-Ville et al. (2021) 'Evaluating the Potential Hydrological Performance of a Bioretention Media with 100% Recycled Waste Components' <i>Water</i><i><br></i><i><br></i>
DOI: 10.15131/shef.data.14695482.v1
title: Urban Green DaMS: Recycled Bioretention Media SWMM Modelling Input Datafiles

description: All required data and model input files to replicate the findings of De-Ville et al. (2021) 'Evaluating the Potential Hydrological Performance of a Bioretention Media with 100% Recycled Waste Components' <i>Water</i><i><br></i><i><br></i>
DOI: 10.14272/pcuatyazcdnkbf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-dimethoxyphosphoryl-1,4-dimethylbenzene)
title: InChI=1S/C10H15O3P/c1-8-5-6-9(2)10(7-8)14(11,12-3)13-4/h5-7H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.72 (dd, J = 14.7, 2.0 Hz, 1H, HAr), 7.24 (ddt, J = 7.7, 2.0, 0.9 Hz, 1H, HAr), 7.14 (dd, J = 7.8, 5.9 Hz, 1H, HAr), 3.74 (d, J = 11.2 Hz, 6H, POCH3), 2.49 (d, J = 1.7 Hz, 3H, CH3), 2.33 (d, J = 0.8 Hz, 3H, CH3).
DOI: 10.14272/pcuatyazcdnkbf-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-dimethoxyphosphoryl-1,4-dimethylbenzene)
title: InChI=1S/C10H15O3P/c1-8-5-6-9(2)10(7-8)14(11,12-3)13-4/h5-7H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3468 (vw), 2952 (w), 2927 (w), 2850 (w), 1639 (vw), 1564 (w), 1489 (w), 1451 (w), 1388 (w), 1286 (w), 1242 (vs), 1224 (s), 1207 (m), 1181 (m), 1152 (w), 1122 (w), 1086 (s), 1020 (vs), 894 (m), 820 (vs), 776 (s), 737 (m), 713 (w), 693 (m), 667 (w), 647 (w), 574 (vs), 554 (s), 487 (m), 472 (m), 462 (s), 436 (w), 411 (w), 394 (m) cm–1.
DOI: 10.14272/pcuatyazcdnkbf-uhfffaoysa-n.1
title: 2-dimethoxyphosphoryl-1,4-dimethylbenzene
title: InChI=1S/C10H15O3P/c1-8-5-6-9(2)10(7-8)14(11,12-3)13-4/h5-7H,1-4H3

description: This dataset contains experimental data from a sample (2-dimethoxyphosphoryl-1,4-dimethylbenzene, InChI=1S/C10H15O3P/c1-8-5-6-9(2)10(7-8)14(11,12-3)13-4/h5-7H,1-4H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) 31P nuclear magnetic resonance spectroscopy (31P NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/oxdoanyfrlhsml-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (dimethoxyphosphorylbenzene)
title: InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 132.7 (d, J = 2.8 Hz, Cq, CAr), 132.0 (+, d, J = 9.9 Hz, 2C, CH, CAr), 128.7 (+, d, J = 15.4 Hz, 2C, CH, CAr), 127.0 (d, J = 188.8 Hz, Cq, CAr), 52.8 (+, d, J = 5.9 Hz, 2C, CH3, POCH3).
DOI: 10.14272/oxdoanyfrlhsml-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (dimethoxyphosphorylbenzene)
title: InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 22.03 – 21.36 (m).
DOI: 10.14272/oxdoanyfrlhsml-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (dimethoxyphosphorylbenzene)
title: InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/oxdoanyfrlhsml-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (dimethoxyphosphorylbenzene)
title: InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

description: dataset for electron ionisation mass spectrometry (EI-MS) MS (EI, 70 eV, 20 °C, %) m/z = 186 (97) [M]+, 185 (100) [M – H]+, 156 (32) [C6H6O3P]+, 110 (25) [C2H7O3P]+, 79 (28) [C6H7]+; HRMS (EI, [M]+, C8H11O3P) calcd.: 186.0440; found: 186.0441.
DOI: 10.14272/oxdoanyfrlhsml-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (dimethoxyphosphorylbenzene)
title: InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, cm-1) ṽ = 3529 (vw), 3486 (vw), 2953 (w), 2850 (vw), 1594 (w), 1485 (w), 1459 (w), 1439 (m), 1248 (vs), 1183 (m), 1130 (vs), 1020 (vs), 881 (w), 826 (vs), 788 (vs), 751 (vs), 697 (vs), 640 (w), 629 (w), 618 (w), 558 (vs), 514 (s), 456 (m), 439 (w), 425 (m), 384 (w).
DOI: 10.14272/oxdoanyfrlhsml-uhfffaoysa-n.1
title: dimethoxyphosphorylbenzene
title: InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

description: This dataset contains experimental data from a sample (dimethoxyphosphorylbenzene, InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) 31P nuclear magnetic resonance spectroscopy (31P NMR) electron ionisation mass spectrometry (EI-MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/oxdoanyfrlhsml-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (dimethoxyphosphorylbenzene)
title: InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.82 – 7.75 (m, 2H, HAr), 7.58 – 7.52 (m, 1H, HAr), 7.48 – 7.42 (m, 2H, HAr), 3.74 (d, J = 11.1 Hz, 6H, POCH3).
DOI: 10.14272/sjcmnwbmjlibaw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-dimethoxyphosphoryl-1,3,5-trimethylbenzene)
title: InChI=1S/C11H17O3P/c1-8-6-9(2)11(10(3)7-8)15(12,13-4)14-5/h6-7H,1-5H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3468 (vw), 2951 (w), 2847 (vw), 1656 (vw), 1639 (vw), 1606 (w), 1557 (w), 1510 (w), 1449 (w), 1411 (w), 1381 (w), 1289 (w), 1244 (s), 1232 (s), 1184 (m), 1122 (w), 1085 (s), 1048 (vs), 1017 (vs), 929 (w), 851 (w), 822 (vs), 775 (vs), 721 (m), 697 (w), 645 (vs), 561 (s), 548 (m), 524 (vs), 486 (s), 453 (m), 442 (m), 432 (m), 411 (m), 387 (m), 380 (m) cm–1.
DOI: 10.14272/sjcmnwbmjlibaw-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-dimethoxyphosphoryl-1,3,5-trimethylbenzene)
title: InChI=1S/C11H17O3P/c1-8-6-9(2)11(10(3)7-8)15(12,13-4)14-5/h6-7H,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.6084/m9.figshare.16836670
title: Metadata record for: Flipping food during grilling tasks: a dataset of utensils kinematics and dynamics, food pose and subject gaze

description: This dataset contains key characteristics about the data described in the Data Descriptor Flipping food during grilling tasks: a dataset of utensils kinematics and dynamics, food pose and subject gaze. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.14272/sjcmnwbmjlibaw-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (2-dimethoxyphosphoryl-1,3,5-trimethylbenzene)
title: InChI=1S/C11H17O3P/c1-8-6-9(2)11(10(3)7-8)15(12,13-4)14-5/h6-7H,1-5H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (202 MHz, CDCl3, ppm) δ = 23.56 (p, J = 11.6, 11.0 Hz).
DOI: 10.6084/m9.figshare.16836670.v1
title: Metadata record for: Flipping food during grilling tasks: a dataset of utensils kinematics and dynamics, food pose and subject gaze

description: This dataset contains key characteristics about the data described in the Data Descriptor Flipping food during grilling tasks: a dataset of utensils kinematics and dynamics, food pose and subject gaze. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.14272/sjcmnwbmjlibaw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-dimethoxyphosphoryl-1,3,5-trimethylbenzene)
title: InChI=1S/C11H17O3P/c1-8-6-9(2)11(10(3)7-8)15(12,13-4)14-5/h6-7H,1-5H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 20 °C, %) m/z = 228 (77) [M]+, 213 (100) [M–CH3]+, 197 (6) [M–CH3O]+, 119 (15) [M–C2H6O3P]+.HRMS (EI, [M]+, C11H17O3P) calcd.: 228.0910; found: 228.0908.
DOI: 10.14272/sjcmnwbmjlibaw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-dimethoxyphosphoryl-1,3,5-trimethylbenzene)
title: InChI=1S/C11H17O3P/c1-8-6-9(2)11(10(3)7-8)15(12,13-4)14-5/h6-7H,1-5H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 6.91 (d, J = 4.7 Hz, 2H, HAr), 3.71 (d, J = 11.3 Hz, 6H, POCH3), 2.57 (d, J = 1.8 Hz, 6H, o-CH3), 2.28 (d, J = 1.0 Hz, 3H, p-CH3).
DOI: 10.14272/sjcmnwbmjlibaw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-dimethoxyphosphoryl-1,3,5-trimethylbenzene)
title: InChI=1S/C11H17O3P/c1-8-6-9(2)11(10(3)7-8)15(12,13-4)14-5/h6-7H,1-5H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 144.1 (d, J = 11.9 Hz, 2C, Cq, CAr), 142.3 (d, J = 2.8 Hz, Cq, CAr), 130.5 (+, d, J = 16.3 Hz, 2C, CH, CAr), 121.0 (d, J = 182.1 Hz, Cq, CAr), 51.8 (+, d, J = 5.4 Hz, 2C, CH3, POCH3), 23.2 (+, d, J = 2.8 Hz, 2C, CH3, o-CH3), 21.2 (+, CH3, p-CH3).
DOI: 10.14272/sjcmnwbmjlibaw-uhfffaoysa-n.1
title: 2-dimethoxyphosphoryl-1,3,5-trimethylbenzene
title: InChI=1S/C11H17O3P/c1-8-6-9(2)11(10(3)7-8)15(12,13-4)14-5/h6-7H,1-5H3

description: This dataset contains experimental data from a sample (2-dimethoxyphosphoryl-1,3,5-trimethylbenzene, InChI=1S/C11H17O3P/c1-8-6-9(2)11(10(3)7-8)15(12,13-4)14-5/h6-7H,1-5H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) 31P nuclear magnetic resonance spectroscopy (31P NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/ojxaatczrhuzdb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-dimethoxyphosphoryl-4-methylbenzene)
title: InChI=1S/C9H13O3P/c1-8-4-6-9(7-5-8)13(10,11-2)12-3/h4-7H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 143.4 (d, J = 3.1 Hz, Cq, CAr), 132.1 (+, d, J = 10.4 Hz, 2C, CH, CAr), 129.4 (+, d, J = 15.5 Hz, 2C, CH, CAr), 123.6 (d, J = 190.8 Hz, Cq, CAr), 52.7 (+, d, J = 5.5 Hz, 2C, CH3, POCH3), 21.8 (+, CH3, CH3).
DOI: 10.14272/ojxaatczrhuzdb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-dimethoxyphosphoryl-4-methylbenzene)
title: InChI=1S/C9H13O3P/c1-8-4-6-9(7-5-8)13(10,11-2)12-3/h4-7H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3506 (vw), 3489 (w), 3462 (w), 3449 (w), 3434 (w), 2995 (vw), 2989 (vw), 2982 (vw), 2952 (w), 2924 (vw), 2850 (vw), 1655 (w), 1647 (w), 1639 (w), 1606 (w), 1504 (w), 1449 (w), 1402 (w), 1381 (w), 1309 (w), 1237 (s), 1214 (m), 1181 (m), 1129 (s), 1050 (vs), 1017 (vs), 807 (vs), 766 (vs), 713 (m), 687 (m), 649 (vs), 609 (m), 592 (m), 581 (m), 569 (m), 561 (m), 533 (vs), 517 (vs), 465 (s), 453 (s), 433 (s), 426 (s), 408 (m), 398 (m), 384 (m) cm–1.