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3-{[4-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-1H-indole
SpectraBase Compound ID 91yL3m2H2v5
InChI InChI=1S/C26H24N4S/c1-19-23(22-14-8-9-15-24(22)27-19)16-25-28-29-26(31-18-21-12-6-3-7-13-21)30(25)17-20-10-4-2-5-11-20/h2-15,27H,16-18H2,1H3
InChIKey MGTMCSAXPVXLED-UHFFFAOYSA-N
Mol Weight 424.57 g/mol
Molecular Formula C26H24N4S
Exact Mass 424.172168 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5pLrc3Dv6Dy
Name 3-{[4-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-1H-indole
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.172167963 u
Formula C26H24N4S
InChI InChI=1S/C26H24N4S/c1-19-23(22-14-8-9-15-24(22)27-19)16-25-28-29-26(31-18-21-12-6-3-7-13-21)30(25)17-20-10-4-2-5-11-20/h2-15,27H,16-18H2,1H3
InChIKey MGTMCSAXPVXLED-UHFFFAOYSA-N
Molecular Weight 424.566 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5900
Solvent DMSO-d6
Source Vendor ID: NMR/12319421