| SpectraBase Compound ID | HqB3Hq7rlsS |
|---|---|
| InChI | InChI=1S/C11H12N4O2S/c1-8(2)17-11(16)18-10-12-13-14-15(10)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | JIBIQQLPECOTON-UHFFFAOYSA-N |
| Mol Weight | 264.3 g/mol |
| Molecular Formula | C11H12N4O2S |
| Exact Mass | 264.068097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mgF4yorX17 |
|---|---|
| Name | Carbonothioic acid, o-(1-methylethyl) 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 | 264.068096814 u |
| Formula | C11H12N4O2S |
| InChI | InChI=1S/C11H12N4O2S/c1-8(2)17-11(16)18-10-12-13-14-15(10)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | JIBIQQLPECOTON-UHFFFAOYSA-N |
| SMILES | C=1(N(N=NN1)C1=CC=CC=C1)SC(=O)OC(C)C |