| SpectraBase Spectrum ID |
9fvHO3J0B85 |
| Name |
benzoic acid, 4-[5-[[(4-chlorophenyl)phenylmethyl]thio]-1H-tetrazol-1-yl]-, 2-(cyclohexylamino)-2-oxoethyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
561.160138653 u |
| Formula |
C29H28ClN5O3S |
| InChI |
InChI=1S/C29H28ClN5O3S/c30-23-15-11-21(12-16-23)27(20-7-3-1-4-8-20)39-29-32-33-34-35(29)25-17-13-22(14-18-25)28(37)38-19-26(36)31-24-9-5-2-6-10-24/h1,3-4,7-8,11-18,24,27H,2,5-6,9-10,19H2,(H,31,36) |
| InChIKey |
PKKUMLCEOHEWJS-UHFFFAOYSA-N |
| Molecular Weight |
562.088 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9711 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10240966; Lab Info: LP; Lab Number: LP-3701200 |
| Temperature |
23.85 °C |
![benzoic acid, 4-[5-[[(4-chlorophenyl)phenylmethyl]thio]-1H-tetrazol-1-yl]-, 2-(cyclohexylamino)-2-oxoethyl ester](/api/spectrum/9fvHO3J0B85/structure.png?h=300&w=458 "benzoic acid, 4-[5-[[(4-chlorophenyl)phenylmethyl]thio]-1H-tetrazol-1-yl]-, 2-(cyclohexylamino)-2-oxoethyl ester")
