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1H-indole, 2-methyl-1-(phenylmethyl)-3-[1,2,3,6-tetrahydro-1-(phenylsulfonyl)-4-pyridinyl]-
SpectraBase Compound ID 58yGSlSj67N
InChI InChI=1S/C27H26N2O2S/c1-21-27(23-16-18-28(19-17-23)32(30,31)24-12-6-3-7-13-24)25-14-8-9-15-26(25)29(21)20-22-10-4-2-5-11-22/h2-16H,17-20H2,1H3
InChIKey UPGCBPQORWTILA-UHFFFAOYSA-N
Mol Weight 442.58 g/mol
Molecular Formula C27H26N2O2S
Exact Mass 442.171499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BTHSoMoExO
Name 1H-indole, 2-methyl-1-(phenylmethyl)-3-[1,2,3,6-tetrahydro-1-(phenylsulfonyl)-4-pyridinyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.171499257 u
Formula C27H26N2O2S
InChI InChI=1S/C27H26N2O2S/c1-21-27(23-16-18-28(19-17-23)32(30,31)24-12-6-3-7-13-24)25-14-8-9-15-26(25)29(21)20-22-10-4-2-5-11-22/h2-16H,17-20H2,1H3
InChIKey UPGCBPQORWTILA-UHFFFAOYSA-N
Molecular Weight 442.577 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5346
Solvent DMSO-d6
Source Vendor ID: NMR/12708119