![methyl {[1-(4-methylphenyl)-1H-tetraazol-5-yl]sulfanyl}acetate](/api/spectrum/EODTMhEd05C/structure.png?h=300&w=458 "methyl {[1-(4-methylphenyl)-1H-tetraazol-5-yl]sulfanyl}acetate")
| SpectraBase Compound ID | 2Gk2dwELI5a |
|---|---|
| InChI | InChI=1S/C11H12N4O2S/c1-8-3-5-9(6-4-8)15-11(12-13-14-15)18-7-10(16)17-2/h3-6H,7H2,1-2H3 |
| InChIKey | BIPDMFDVSBKRFT-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 | EODTMhEd05C |
|---|---|
| Name | Methyl {[1-(4-methylphenyl)-1H-tetraazol-5-yl]sulfanyl}acetate |
| 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/c1-8-3-5-9(6-4-8)15-11(12-13-14-15)18-7-10(16)17-2/h3-6H,7H2,1-2H3 |
| InChIKey | BIPDMFDVSBKRFT-UHFFFAOYSA-N |
| SMILES | COC(CSC=1N(N=NN1)C1=CC=C(C=C1)C)=O |