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2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID EgPTcXvBfrE
InChI InChI=1S/C23H22FN5OS/c1-3-12-29-21(13-19-15(2)25-20-7-5-4-6-18(19)20)27-28-23(29)31-14-22(30)26-17-10-8-16(24)9-11-17/h3-11,25H,1,12-14H2,2H3,(H,26,30)
InChIKey HIRFKMMZFDSEHE-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C23H22FN5OS
Exact Mass 435.15291 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4oqPG9ZsIFt
Name 2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.152909684 u
Formula C23H22FN5OS
InChI InChI=1S/C23H22FN5OS/c1-3-12-29-21(13-19-15(2)25-20-7-5-4-6-18(19)20)27-28-23(29)31-14-22(30)26-17-10-8-16(24)9-11-17/h3-11,25H,1,12-14H2,2H3,(H,26,30)
InChIKey HIRFKMMZFDSEHE-UHFFFAOYSA-N
Molecular Weight 435.521 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4481
Solvent DMSO-d6
Source Vendor ID: NMR/12309424