![acetamide, 2-[(1-methyl-1H-tetrazol-5-yl)thio]-N-(2,4,6-trimethylphenyl)-](/api/spectrum/3NilCWA5ycx/structure.png?h=300&w=458 "acetamide, 2-[(1-methyl-1H-tetrazol-5-yl)thio]-N-(2,4,6-trimethylphenyl)-")
| SpectraBase Compound ID | 4tKl6afjDea |
|---|---|
| InChI | InChI=1S/C13H17N5OS/c1-8-5-9(2)12(10(3)6-8)14-11(19)7-20-13-15-16-17-18(13)4/h5-6H,7H2,1-4H3,(H,14,19) |
| InChIKey | BGPSHQRBIWAJGG-UHFFFAOYSA-N |
| Mol Weight | 291.37 g/mol |
| Molecular Formula | C13H17N5OS |
| Exact Mass | 291.115381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3NilCWA5ycx |
|---|---|
| Name | Acetamide, 2-[(1-methyl-1H-tetrazol-5-yl)thio]-N-(2,4,6-trimethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.115381360 u |
| Formula | C13H17N5OS |
| InChI | InChI=1S/C13H17N5OS/c1-8-5-9(2)12(10(3)6-8)14-11(19)7-20-13-15-16-17-18(13)4/h5-6H,7H2,1-4H3,(H,14,19) |
| InChIKey | BGPSHQRBIWAJGG-UHFFFAOYSA-N |
| SMILES | N(C=1C(=CC(=CC1C)C)C)C(CSC=1N(N=NN1)C)=O |