![Benzoic acid, 4-[[1-oxo-3-(1H-1,2,3,4-tetrazol-1-yl)propyl]amino]-, methyl ester](/api/spectrum/JUJc78lQJKG/structure.png?h=300&w=458 "Benzoic acid, 4-[[1-oxo-3-(1H-1,2,3,4-tetrazol-1-yl)propyl]amino]-, methyl ester")
| SpectraBase Compound ID | 9SzVyMCxrDR |
|---|---|
| InChI | InChI=1S/C12H13N5O3/c1-20-12(19)9-2-4-10(5-3-9)14-11(18)6-7-17-8-13-15-16-17/h2-5,8H,6-7H2,1H3,(H,14,18) |
| InChIKey | OGJPXYKJYYNNES-UHFFFAOYSA-N |
| Mol Weight | 275.27 g/mol |
| Molecular Formula | C12H13N5O3 |
| Exact Mass | 275.101839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUJc78lQJKG |
|---|---|
| Name | Benzoic acid, 4-[[1-oxo-3-(1H-1,2,3,4-tetrazol-1-yl)propyl]amino]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.101839296 u |
| Formula | C12H13N5O3 |
| InChI | InChI=1S/C12H13N5O3/c1-20-12(19)9-2-4-10(5-3-9)14-11(18)6-7-17-8-13-15-16-17/h2-5,8H,6-7H2,1H3,(H,14,18) |
| InChIKey | OGJPXYKJYYNNES-UHFFFAOYSA-N |
| SMILES | C1=NN=NN1CCC(=O)NC1=CC=C(C=C1)C(OC)=O |