| SpectraBase Compound ID | 4vK7rXqNSXO |
|---|---|
| InChI | InChI=1S/C9H14OS/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3 |
| InChIKey | VFWFDSBOGMJTHS-UHFFFAOYSA-N |
| Mol Weight | 170.27 g/mol |
| Molecular Formula | C9H14OS |
| Exact Mass | 170.076536 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2MpJKv5rCS |
|---|---|
| Name | Mercapto - isophorone |
| Alternate Name(s) | 3,5,5-trimethyl-2-sulfanyl-2-cyclohexen-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H14OS |
| InChI | InChI=1S/C9H14OS/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3 |
| InChIKey | VFWFDSBOGMJTHS-UHFFFAOYSA-N |
| Molecular Weight | 170.270 g/mol |
| SMILES | SC1=C(CC(CC1=O)(C)C)C |
| SPLASH | splash10-00di-6900000000-39902e09f68203b4adde |
| Source of Spectrum | BW-2001-0-182 |
| Wiley ID | 811227 |