| SpectraBase Spectrum ID |
HWbDjMiPou5 |
| Name |
benzoic acid, 4-[5-[(2-ethoxy-2-oxoethyl)thio]-1H-tetrazol-1-yl]-, 2-[(3-nitrophenyl)amino]-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 |
486.095768111 u |
| Formula |
C20H18N6O7S |
| InChI |
InChI=1S/C20H18N6O7S/c1-2-32-18(28)12-34-20-22-23-24-25(20)15-8-6-13(7-9-15)19(29)33-11-17(27)21-14-4-3-5-16(10-14)26(30)31/h3-10H,2,11-12H2,1H3,(H,21,27) |
| InChIKey |
MRXGYYIGNFGBNQ-UHFFFAOYSA-N |
| Molecular Weight |
486.459 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13234 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10301379; Lab Info: LP; Lab Number: LP-3701271 |
![benzoic acid, 4-[5-[(2-ethoxy-2-oxoethyl)thio]-1H-tetrazol-1-yl]-, 2-[(3-nitrophenyl)amino]-2-oxoethyl ester](/api/spectrum/HWbDjMiPou5/structure.png?h=300&w=458 "benzoic acid, 4-[5-[(2-ethoxy-2-oxoethyl)thio]-1H-tetrazol-1-yl]-, 2-[(3-nitrophenyl)amino]-2-oxoethyl ester")
