cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/gefbqfbdckvrhl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H18F15NO2/c1-48-21-15-12-18(13-16-21)11-14-20-9-5-6-10-22(20)46(17-19-7-3-2-4-8-19)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-10,12-13,15-16H,17H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 160.4, 158.3 (t, J = 25.0 Hz), 140.0, 135.3, 133.4 (+, CH, 2C), 132.5 (+, CH), 129.7 (+, CH, 2C), 129.2 (+, CH), 129.0 (+, CH), 128.7 (+, CH, 2C), 128.3 (+, CH), 128.2 (+, CH), 123.6, 114.6, 114.3 (+, CH, 2C), 95.9, 83.5, 55.4 (+, CH3), 54.9 (–, CH2). C-atoms of the F-chain (7C) are not visible.
DOI: 10.14272/gefbqfbdckvrhl-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C30H18F15NO2/c1-48-21-15-12-18(13-16-21)11-14-20-9-5-6-10-22(20)46(17-19-7-3-2-4-8-19)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-10,12-13,15-16H,17H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gefbqfbdckvrhl-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C30H18F15NO2/c1-48-21-15-12-18(13-16-21)11-14-20-9-5-6-10-22(20)46(17-19-7-3-2-4-8-19)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-10,12-13,15-16H,17H2,1H3

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 710 (16) [M+1]+, 709 (30) [M]+, 708 (21), 632 (19), 91 (100). HRMS (C30H18F15NO2): calcd 709.1093, found 709.1094.
DOI: 10.14272/gefbqfbdckvrhl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H18F15NO2/c1-48-21-15-12-18(13-16-21)11-14-20-9-5-6-10-22(20)46(17-19-7-3-2-4-8-19)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-10,12-13,15-16H,17H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.48 (dt, J = 7.7, 1.4 Hz, 1H), 7.37–7.32 (m, 2H), 7.23 (td, J = 7.6, 1.3 Hz, 1H), 7.19–7.13 (m, 3H), 7.11–7.04 (m, 3H), 6.83–6.77 (m, 2H), 6.66 (dd, J = 7.7, 2.4 Hz, 1H), 5.55 (d, J = 14.0, 1H), 4.27 (dd, J = 14.0, 3.0 Hz, 1H), 3.73 (s, 3H).
DOI: 10.14272/gefbqfbdckvrhl-uhfffaoysa-n.1
title: N-benzyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-((4-methoxyphenyl)ethynyl)phenyl)octanamide
title: InChI=1S/C30H18F15NO2/c1-48-21-15-12-18(13-16-21)11-14-20-9-5-6-10-22(20)46(17-19-7-3-2-4-8-19)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-10,12-13,15-16H,17H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C30H18F15NO2/c1-48-21-15-12-18(13-16-21)11-14-20-9-5-6-10-22(20)46(17-19-7-3-2-4-8-19)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-10,12-13,15-16H,17H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR) ultraviolet-visible spectrophotometry (UV-VIS) distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gefbqfbdckvrhl-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C30H18F15NO2/c1-48-21-15-12-18(13-16-21)11-14-20-9-5-6-10-22(20)46(17-19-7-3-2-4-8-19)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-10,12-13,15-16H,17H2,1H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, DMSO), λmax = 315, 297, 284, 268 nm.
DOI: 10.14272/lnokiidfjhlslh-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C26H18F15NO2/c1-3-14-42(18-7-5-4-6-16(18)11-8-15-9-12-17(44-2)13-10-15)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-7,9-10,12-13H,3,14H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.61–7.57 (m, 1H), 7.45–7.40 (m, 2H), 7.40–7.33 (m, 2H), 7.23–7.18 (m, 1H), 6.90–6.85 (m, 2H), 4.12 (ddd, J = 13.2, 8.8, 7.1 Hz, 1H), 3.82 (s, 3H), 3.42 (ddd, J = 13.2, 8.6, 6.5 Hz, 1H), 1.73–1.59 (m, 2H), 0.93 (t, J = 7.4 Hz, 3H). Impurities: spectra contains water signal at 1.55 ppm (0.5%). For full analysis please see: https://dx.doi.org/10.14272/reaction/SA-FUHFF-UHFFFADPSC-LNOKIIDFJH-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ.
DOI: 10.14272/lnokiidfjhlslh-uhfffaoysa-n.2
title: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-((4-methoxyphenyl)ethynyl)phenyl)-N-propyloctanamide
title: InChI=1S/C26H18F15NO2/c1-3-14-42(18-7-5-4-6-16(18)11-8-15-9-12-17(44-2)13-10-15)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-7,9-10,12-13H,3,14H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C26H18F15NO2/c1-3-14-42(18-7-5-4-6-16(18)11-8-15-9-12-17(44-2)13-10-15)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-7,9-10,12-13H,3,14H2,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, DMSO), λmax = 260 nm.
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0001146.1
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (ppm) δ = 158.1 (t, J = 24.9 Hz), 140.1 (d, J = 1.9 Hz), 135.4, 132.9 (+, CH), 129.7 (+, CH, 2C), 129.3 (+, CH), 128.9 (+, CH), 128.6 (+, CH, 2C), 128.2 (+, CH), 127.8 (+, CH),123.8 (d, J = 2.0 Hz), 97.3, 76.1, 54.6 (–, CH2), 30.7 (–, CH2), 22.1 (–, CH2), 19.3 (–, CH2), 13.6 (+, CH3). C-atoms of the F-chain (7C) are not visible.
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n.1
title: N-benzyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-(hex-1-yn-1-yl)phenyl)octanamide
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3). 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) distortionless enhancement with polarization transfer (DEPT) 19F nuclear magnetic resonance spectroscopy (19F NMR) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) 1H--1H correlation spectroscopy (1H-1H COSY) mass spectrometry (MS) infrared absorption spectroscopy (IR) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = [(-80.36)–(-80.81) (m)], [(-110.59)–(-110.86) (m)], [(-120.19)–(-120.41) (m)], [(-120.44)–(-120.74)(m)], [(-121.94)–(-122.06) (m)], [(-122.38)–(-122.98) (m)], [(-126.04)–(-126.30) (m)].
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0001150.1
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 661 (13) [M+2]+, 660 (47) [M+1]+, 659 (12) [M]+, 658 (15), 133 (40), 91 (32), 89 (100), 87 (42). HRMS (C27H20F15NO): calcd 660.1378, found 660.1377.
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2961 (vw), 2935 (w), 1689 (vs), 1619 (vw), 1598 (w), 1570 (vw), 1543 (vw), 1534 (vw), 1528 (vw), 1523 (vw), 1489 (w), 1466 (w), 1452 (w), 1408 (w), 1383 (w), 1364 (w), 1353 (w), 1322 (w), 1235 (vs), 1201 (vs), 1145 (vs), 1112 (m), 1092 (m), 1078 (m), 1027 (m), 1020 (m), 983 (w), 960 (w), 948 (w), 918 (w), 888 (w), 863 (w), 844 (w), 819 (w), 802 (w), 772 (m), 745 (s), 722 (m), 700 (vs), 673 (m), 659 (m), 640 (m), 619 (m), 560 (m), 524 (m), 492 (w), 476 (w), 472 (w), 456 (w), 450 (w), 435 (w), 429 (w), 421 (w), 409 (w), 397 (w), 390 (w), 380 (w) cm–1.
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0001148.1
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/ksxcbkgdaxbvcf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.50 (dd, J = 7.8, 1.6 Hz, 1H), 7.33–7.26 (m, 4H), 7.22–7.16 (m, 2H), 7.14 (td, J = 7.8, 1.6 Hz, 1H), 6.68 (d, J = 7.9 Hz, 1H), 5.64 (d, J = 14.0 Hz, 1H), 4.27 (d, J = 14.0 Hz, 1H), 2.43 (t, J = 7.0 Hz, 2H), 1.59 (dtd, J = 8.7, 7.5, 6.9, 5.8 Hz, 2H), 1.53–1.42 (m, 2H), 0.97 (t, J = 7.3 Hz, 3H).
DOI: 10.14272/meazbebvnhswfn-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.63–7.60 (m, 1H), 7.47–7.43 (m, 2H), 7.42–7.38 (m, 2H), 7.38–7.32 (m, 4H), 5.70 (d, J = 10.4 Hz, 1H), 4.90 (d, J = 10.4 Hz, 1H), 4.19–3.74 (m, 2H), 3.58–3.46 (m, 2H), 3.35 (s, 3H).
DOI: 10.14272/meazbebvnhswfn-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2929 (vw), 2883 (vw), 1697 (s), 1596 (w), 1571 (w), 1553 (vw), 1538 (vw), 1530 (vw), 1497 (w), 1482 (w), 1451 (w), 1408 (w), 1388 (w), 1364 (w), 1317 (w), 1235 (vs), 1200 (vs), 1143 (vs), 1106 (vs), 1096 (vs), 1075 (vs), 1038 (s), 1017 (s), 984 (m), 932 (w), 915 (m), 890 (m), 873 (m), 851 (m), 841 (m), 819 (m), 802 (m), 776 (m), 754 (vs), 735 (s), 721 (m), 713 (s), 701 (s), 690 (s), 676 (m), 660 (s), 636 (m), 622 (m), 602 (m), 555 (s), 528 (s), 475 (m), 460 (m), 448 (m), 433 (m), 425 (m), 418 (m), 411 (m), 390 (m), 375 (m) cm–1.
DOI: 10.14272/meazbebvnhswfn-uhfffaoysa-n.1
title: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-((2-methoxyethoxy)methyl)-N-(2-(phenylethynyl)phenyl)octanamide
title: InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3). The datasets from the following experiments are available: mass spectrometry (MS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) 19F nuclear magnetic resonance spectroscopy (19F NMR) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/meazbebvnhswfn-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/meazbebvnhswfn-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/meazbebvnhswfn-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 678 (8)[M+1]+, 677 (14) [M]+, 603 (29), 602 (100), 221 (21), 133 (20), 89 (48), 87 (21). HRMS (C26H18F15NO3): calcd 677.0830, found 677.0832.
DOI: 10.14272/meazbebvnhswfn-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 159.4 (t, J=25.3 Hz), 139.6, 132.7 (+, CH), 131.7 (+, CH, 2C), 129.4 (+, CH), 129.2 (+, CH), 129.2 (+, CH), 129.1 (+, CH), 128.6 (+, CH, 2C), 123.2 (t, J = 1.9 Hz), 122.4, 95.5, 84.7, 80.4 (–, CH2), 71.7 (–, CH2), 69.6 (–, CH2), 59.1 (+, CH3), C-atoms of the F-chain (7C) are not seen in the spectra.
DOI: 10.14272/meazbebvnhswfn-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = [(-80.74)–(-80.77) (m)], [(-111.11)–(-111.59) (m)], [(-120.41)–(-120.50) (m)], [(-120.57)–(-120.65) (m)], [(-121.83)–(-122.43) (m)], [(-122.53)–(-122.93)], [(-126.08)–(-126.42) (m)].
DOI: 10.14272/meazbebvnhswfn-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C26H18F15NO3/c1-44-13-14-45-15-42(18-10-6-5-9-17(18)12-11-16-7-3-2-4-8-16)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,13-15H2,1H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, DMSO), λmax = 304, 286 nm.
DOI: 10.14272/didkxvvgrdfznl-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/didkxvvgrdfznl-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3322 (w), 1714 (m), 1579 (w), 1534 (m), 1493 (w), 1448 (w), 1367 (w), 1324 (w), 1306 (w), 1278 (vw), 1227 (s), 1196 (vs), 1163 (s), 1143 (vs), 1106 (s), 1071 (w), 1041 (w), 1016 (s), 989 (vw), 950 (w), 912 (w), 849 (vw), 751 (vs), 738 (m), 722 (s), 688 (s), 677 (m), 657 (m), 636 (m), 620 (vs), 598 (w), 584 (w), 567 (s), 554 (m), 544 (s), 528 (vs), 504 (m), 492 (m), 475 (s), 380 (vw) cm–1.
DOI: 10.14272/didkxvvgrdfznl-uhfffaoysa-n.1
title: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-(phenylethynyl)phenyl)octanamide
title: InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)

description: This dataset contains experimental data from a sample (InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)). 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) distortionless enhancement with polarization transfer (DEPT) 19F nuclear magnetic resonance spectroscopy (19F NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR) diffraction method (crystallography)
DOI: 10.14272/didkxvvgrdfznl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 8.96 (br.s, 1H), 8.37 (d, J = 8.4, 1H), 7.58 (d, J = 7.7, 1H), 7.54–7.49 (m, 2H), 7.47–7.36 (m, 4H), 7.23 (td, J = 7.6, 1.1 Hz, 1H). Impurities: spectra contains water signal at 1.55 ppm (0.5%).
DOI: 10.14272/didkxvvgrdfznl-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = [(–77.15)–(–84.18) (m)], [(–119.05)–(–119.92) (m)], [(–120.95)–(–121.56) (m)], [(–121.79)–(–122.04) (m)], [(–122.04)–(–122.38) (m)], [(–122.49)–(–123.33) (m)], [(–125.59)–(–126.80) (m)].
DOI: 10.14272/didkxvvgrdfznl-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/didkxvvgrdfznl-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 591 (17) [M+2]+, 590 (73) [M+1]+, 589 (100) [M]+, 307 (16), 193 (52), 155 (22), 154 (67), 139 (16), 138 (30), 137 (42), 136 (49), 107 (16), 105 (21). HRMS (C22H10F15NO): calcd 589.0517, found 589.0516.
DOI: 10.14272/didkxvvgrdfznl-uhfffaoysa-n/chmo0000141
title: diffraction method (crystallography) ()
title: InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)

description: dataset for diffraction method (crystallography)
DOI: 10.14272/didkxvvgrdfznl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H10F15NO/c23-16(24,15(39)38-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h1-9H,(H,38,39)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 155.0 (t, J = 25.8 Hz), 136.3, 131.9 (+, CH), 131.6 (+, CH, 2C), 130.0 (+, CH), 129.5 (+, CH), 128.8 (+, CH, 2C), 125.8 (+, CH), 121.8, 119.8 (+, CH), 113.7, 98.2, 82.9, carbons of the F-chain (7C) are not seen in the spectra.
DOI: 10.20375/0000-000f-73cb-b
title: An Analysis of Food Preserving Practices in the Contemporary North Eurasian Blogosphere - datasets
DOI: 10.20375/0000-000f-73cc-a
title: An Analysis of Food Preserving Practices in the Contemporary North Eurasian Blogosphere - datasets
title: Cabbage_fermentations_FINAL.xlsx
DOI: 10.14272/lnokiidfjhlslh-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C26H18F15NO2/c1-3-14-42(18-7-5-4-6-16(18)11-8-15-9-12-17(44-2)13-10-15)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-7,9-10,12-13H,3,14H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)