| SpectraBase Spectrum ID |
IDkpWM3LnB1 |
| Name |
benzoic acid, 4-[[[[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-, ethyl 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 |
425.152160792 u |
| Formula |
C21H23N5O3S |
| InChI |
InChI=1S/C21H23N5O3S/c1-5-29-20(28)16-6-8-17(9-7-16)22-18(27)12-30-21-23-24-25-26(21)19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3,(H,22,27) |
| InChIKey |
GOYMSEXNAHYOME-UHFFFAOYSA-N |
| Molecular Weight |
425.507 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12338 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10272332; Lab Info: SAD; Lab Number: SAD-1902286 |
![benzoic acid, 4-[[[[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-, ethyl ester](/api/spectrum/IDkpWM3LnB1/structure.png?h=300&w=458 "benzoic acid, 4-[[[[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-, ethyl ester")
