| SpectraBase Compound ID | 1QljCqpGarJ |
|---|---|
| InChI | InChI=1S/C10H16S/c1-10(2,3)9-5-4-7-11-8-6-9/h4-6H,7-8H2,1-3H3 |
| InChIKey | NYLYJQVMLLBBCT-UHFFFAOYSA-N |
| Mol Weight | 168.3 g/mol |
| Molecular Formula | C10H16S |
| Exact Mass | 168.097272 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IBRZrfjdVbp |
|---|---|
| Name | 4-tert-Butyl-2,7-dihydrothiepin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H16S |
| InChI | InChI=1S/C10H16S/c1-10(2,3)9-5-4-7-11-8-6-9/h4-6H,7-8H2,1-3H3 |
| InChIKey | NYLYJQVMLLBBCT-UHFFFAOYSA-N |
| Molecular Weight | 168.298 g/mol |
| SMILES | C=1(C(C)(C)C)C=CCSCC1 |
| SPLASH | splash10-0a4j-7900000000-bbe76c6b4ba2314c38ff |
| Source of Spectrum | H1-53-901-5 |
| Synonyms | 4-tert-Butyl-2,7-dihydrothiepine |
| Wiley ID | 818001 |