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 |