SpectraBase Spectrum ID |
AuZGO2ltcc8 |
Name |
benzoic acid, 4-[5-[[(4-chlorophenyl)phenylmethyl]thio]-1H-tetrazol-1-yl]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
422.060424611 u |
Formula |
C21H15ClN4O2S |
InChI |
InChI=1S/C21H15ClN4O2S/c22-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)29-21-23-24-25-26(21)18-12-8-16(9-13-18)20(27)28/h1-13,19H,(H,27,28) |
InChIKey |
TYLRTAGNUMITMV-UHFFFAOYSA-N |
Molecular Weight |
422.890 g/mol |
NMR Offset |
17.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_8593 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10210263; Lab Info: LP; Lab Number: LP-3701155 |