| SpectraBase Spectrum ID |
7pDoSpi8ZWt |
| Name |
benzoic acid, 4-[5-[[(4-chlorophenyl)phenylmethyl]thio]-1H-tetrazol-1-yl]-, (4-fluorophenyl)methyl 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 |
530.097952935 u |
| Formula |
C28H20ClFN4O2S |
| InChI |
InChI=1S/C28H20ClFN4O2S/c29-23-12-8-21(9-13-23)26(20-4-2-1-3-5-20)37-28-31-32-33-34(28)25-16-10-22(11-17-25)27(35)36-18-19-6-14-24(30)15-7-19/h1-17,26H,18H2 |
| InChIKey |
PTYMIXGOXKDLQV-UHFFFAOYSA-N |
| Molecular Weight |
531.005 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_7127 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10220760; Lab Info: LP; Lab Number: LP-3701158 |
| Temperature |
29.85 °C |
![benzoic acid, 4-[5-[[(4-chlorophenyl)phenylmethyl]thio]-1H-tetrazol-1-yl]-, (4-fluorophenyl)methyl ester](/api/spectrum/7pDoSpi8ZWt/structure.png?h=300&w=458 "benzoic acid, 4-[5-[[(4-chlorophenyl)phenylmethyl]thio]-1H-tetrazol-1-yl]-, (4-fluorophenyl)methyl ester")
