| SpectraBase Spectrum ID |
2qICa5GbXJs |
| Name |
benzoic acid, 4-[5-[[2-[(1-methyl-1H-tetrazol-5-yl)amino]-2-oxoethyl]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 |
361.070556421 u |
| Formula |
C12H11N9O3S |
| InChI |
InChI=1S/C12H11N9O3S/c1-20-11(14-16-18-20)13-9(22)6-25-12-15-17-19-21(12)8-4-2-7(3-5-8)10(23)24/h2-5H,6H2,1H3,(H,23,24)(H,13,14,18,22) |
| InChIKey |
IXHMLOVKRMQLQC-UHFFFAOYSA-N |
| Molecular Weight |
361.340 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_8153 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13307877; Lab Info: LP; Lab Number: 3702145 |
![benzoic acid, 4-[5-[[2-[(1-methyl-1H-tetrazol-5-yl)amino]-2-oxoethyl]thio]-1H-tetrazol-1-yl]-](/api/spectrum/2qICa5GbXJs/structure.png?h=300&w=458 "benzoic acid, 4-[5-[[2-[(1-methyl-1H-tetrazol-5-yl)amino]-2-oxoethyl]thio]-1H-tetrazol-1-yl]-")
