cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/hzwgyarodzykrn-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.23–8.21 (m, 1H), 7.56–7.49 (m, 3H), 7.46–7.38 (m, 5H), 3.91 (t, J = 7.8 Hz, 2H), 1.73 (h, J = 7.5 Hz, 2H), 0.81 (t, J = 7.4 Hz, 3H). Impurities: spectrum contains water (1.55 ppm) and grease (1.27 ppm, 0.87 ppm) signals.
DOI: 10.14272/hzwgyarodzykrn-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 632 (100) [M+1]+, 631 (60) [M]+, 262 (68). HRMS (C25H17F15NO): calcd 632.1065, found 632.1063.
DOI: 10.14272/hzwgyarodzykrn-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/hzwgyarodzykrn-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, DMSO, 10 μM, 20 °C)λmax (log ε in M-1cm-1) = 336 (4.037), 264 (4.143) nm.
DOI: 10.14272/hzwgyarodzykrn-uhfffaoysa-n.1
title: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-(2-phenyl-1-propyl-1H-indol-3-yl)octan-1-one
title: InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3). 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) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) 19F nuclear magnetic resonance spectroscopy (19F NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/hzwgyarodzykrn-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = [(-80.75)–(-80.81) (m)], [(-113.57)–(-113.64) (m)], [(-120.34)–(-120.57) (m)], [(-120.57)–(-120.76) (m)], [(-121.80)–(-122.33) (m)], [(-122.44)–(-122.95) (m)], [(-125.61)–(-126.54) (m)].
DOI: 10.14272/hzwgyarodzykrn-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2965 (vw), 2938 (vw), 2880 (vw), 1655 (m), 1608 (w), 1579 (w), 1524 (w), 1472 (w), 1459 (m), 1408 (s), 1387 (w), 1367 (w), 1353 (w), 1319 (w), 1234 (vs), 1201 (vs), 1146 (vs), 1130 (vs), 1105 (s), 1075 (m), 1057 (m), 1027 (m), 1001 (s), 929 (m), 899 (w), 884 (w), 863 (w), 846 (w), 824 (m), 817 (m), 803 (m), 778 (m), 744 (vs), 721 (s), 701 (vs), 657 (s), 640 (m), 630 (m), 616 (m), 596 (m), 552 (m), 528 (m), 501 (w), 480 (w), 460 (w), 450 (w), 436 (w), 428 (w), 412 (w), 387 (w) cm–1.
DOI: 10.14272/hzwgyarodzykrn-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 8.21 (dd, J = 6.5, 2.9 Hz, 1H), 7.47–7.41 (m, 1H), 7.40–7.34 (m, 2H), 7.33–7.28 (m, 2H), 7.06–6.99 (m, 2H), 3.95–3.92 (m, 2H), 3.90 (s, 3H), 1.73 (h, J = 7.5 Hz, 2H), 0.82 (t, J = 7.4 Hz, 3H). Impurities: spectrum contains grease (1.28 ppm, 0.89 ppm) signals.
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 663 (27) [M+1]+, 662 (100) [M]+, 661 (66), 292 (40). HRMS (C26H19F15NO2): calcd 662.1171, found 662.1169.
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, DMSO, 10 μM, 20 °C)λmax (log ε in M-1cm-1) = 340 (4.057), 270 (4.072) nm.
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 180.1 (t, J = 28.2 Hz), 160.7, 149.2, 136.2, 131.6 (+, CH, 2C), 126.8, 123.9 (+, CH), 123.6 (+, CH), 122.9 (t, J = 1.8 Hz), 122.1 (t, J = 3.6 Hz, +, CH), 113.9 (+, CH, 2C), 111.1 (t, J = 2.2 Hz), 110.8 (+, CH), 55.4 (+, CH3), 46.1 (-, CH2), 23.1 (–, CH2), 11.4 (+, CH3), C-atoms of the F-chain (7C) are not seen in the spectrum. Spectrum contains grease (29.8 ppm) signal.
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = [(-80.75)–(-80.86) (m)], [(-113.51)–(-113.58) (m)], [(-120.38)–(-120.53) (m)], [(-120.54)–(-120.70) (m)], [(-122.06)–(-122.14) (m)], [(-122.49)–(-122.94) (m)], [(-126.10)–(-126.35) (m)].
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/cjuyybzhdommod-uhfffaoysa-n.1
title: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-(2-(4-methoxyphenyl)-1-propyl-1H-indol-3-yl)octan-1-one
title: InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C26H18F15NO2/c1-3-12-42-16-7-5-4-6-15(16)17(18(42)13-8-10-14(44-2)11-9-13)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-11H,3,12H2,1-2H3). 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) distortionless enhancement with polarization transfer (DEPT) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) mass spectrometry (MS) infrared absorption spectroscopy (IR) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 8.22 (d, J = 8.1 Hz, 1H), 7.35 (ddd, J = 8.2, 6.5, 1.7 Hz, 1H), 7.32–7.20 (m, 7H), 6.98–6.90 (m, 4H), 5.20 (s, 2H), 3.84 (s, 3H). Impurities: spectrum contains cyclohexane signal at 1.44 ppm and grease signals at 0.88 ppm and 1.28 ppm.
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, DMSO, 10 μM, 20 °C)λmax (log ε in M-1cm-1) = 340 (4.072), 270 (4.076) nm.
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

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

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 711 (33) [M+2]+, 710 (100) [M+1]+, 709 (62) [M]+, 340 (43), 91 (88). HRMS (C30H19F15NO2): calcd 710.1171, found 710.1173.
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = [(-80.46)–(-80.83) (m)], [(-113.44)–(-113.51) (m)], [(-120.35)–(-120.51) (m)], [(-120.58)–(-120.97) (m)], [(-121.68)–(-122.40) (m)], [(-122.48)–(-123.36) (m)], [(-125.62)–(-126.70) (m)].
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 180.5 (t, J = 28.2 Hz), 160.9, 149.5, 136.7, 136.3, 131.7 (+, CH, 2C), 129.0 (+, CH, 2C), 127.9 (+, CH), 126.8, 126.1 (+, CH, 2C), 124.3 (+, CH), 123.8 (+, CH), 122.5 (t, J = 2.0 Hz), 121.9 (t, J = 3.4 Hz, +, CH), 113.9 (+, CH, 2C), 111.4 (t, J = 2.5 Hz), 111.3 (+, CH), 55.4 (+, CH3), 48.1 (–, CH2), C-atoms of the F-chain (7C) are not seen in the spectrum. Impurities: spectrum contains cyclohexane (27.1 ppm) and grease (29.9 ppm) signals.
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n.1
title: 1-(1-benzyl-2-(4-methoxyphenyl)-1H-indol-3-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-one
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3). 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) distortionless enhancement with polarization transfer (DEPT) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) X-ray diffraction (XRD) mass spectrometry (MS) infrared absorption spectroscopy (IR) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/cmrjxbbrhljgqm-uhfffaoysa-n/chmo0000156
title: X-ray diffraction (XRD) ()
title: InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/kirflfirampykm-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/kirflfirampykm-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/kirflfirampykm-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/kirflfirampykm-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/kirflfirampykm-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 725 (33) [M+1]+, 724 (100) [M]+, 723 (80), 722 (16), 133 (22), 89 (52), 87 (22). HRMS (C31H21F15NO2): calcd 724.1327, found 724.1325.
DOI: 10.14272/kirflfirampykm-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/kirflfirampykm-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, DMSO, 10 μM, 20 °C)λmax (log ε in M-1cm-1) = 339 (4.079), 270 (4.130) nm.
DOI: 10.14272/kirflfirampykm-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/kirflfirampykm-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = [(-80.77)–(-80.84) (m)], -113.46 (t, J = 13.5 Hz), [(-120.08)–(-120.53) (m)], [(-120.50)–(-120.76) (m)], [(-121.82)–(-122.29) (m)], [(-122.46)–(-122.91) (m)], [(-125.99)–(-126.33) (m)].