![Carbonothioic acid, S-[1-(4-methylphenyl)-1H-tetrazol-5-yl]o-propyl ester](/api/spectrum/J3jGPE7CtqW/structure.png?h=300&w=458 "Carbonothioic acid, S-[1-(4-methylphenyl)-1H-tetrazol-5-yl]o-propyl ester")
| SpectraBase Compound ID | 1R1PxArFdwf |
|---|---|
| InChI | InChI=1S/C12H14N4O2S/c1-3-8-18-12(17)19-11-13-14-15-16(11)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | QNZGKJBPURRNQW-UHFFFAOYSA-N |
| Mol Weight | 278.33 g/mol |
| Molecular Formula | C12H14N4O2S |
| Exact Mass | 278.083747 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3jGPE7CtqW |
|---|---|
| Name | Carbonothioic acid, S-[1-(4-methylphenyl)-1H-tetrazol-5-yl]o-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.083746879 u |
| Formula | C12H14N4O2S |
| InChI | InChI=1S/C12H14N4O2S/c1-3-8-18-12(17)19-11-13-14-15-16(11)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey | QNZGKJBPURRNQW-UHFFFAOYSA-N |
| SMILES | C=1(N(N=NN1)C=1C=CC(=CC1)C)SC(=O)OCCC |