| SpectraBase Compound ID | LPpQAXZ9xVy |
|---|---|
| InChI | InChI=1S/C15H12N4OS/c1-11-7-9-12(10-8-11)14(20)21-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | ICLRGHUWMBWFFQ-UHFFFAOYSA-N |
| Mol Weight | 296.35 g/mol |
| Molecular Formula | C15H12N4OS |
| Exact Mass | 296.073182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTodNUCLamI |
|---|---|
| Name | Benzenecarbothioic acid, 4-methyl-, S-(1-phenyl-1H-tetrazol-5-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.073182195 u |
| Formula | C15H12N4OS |
| InChI | InChI=1S/C15H12N4OS/c1-11-7-9-12(10-8-11)14(20)21-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,1H3 |
| InChIKey | ICLRGHUWMBWFFQ-UHFFFAOYSA-N |
| SMILES | CC1=CC=C(C=C1)C(=O)SC1=NN=NN1C1=CC=CC=C1 |