| SpectraBase Compound ID | JzNCqKtZA3E |
|---|---|
| InChI | InChI=1S/C12H16OS2/c1-9(10-6-4-3-5-7-10)11(13)8-12(14)15-2/h3-7,9,11,13H,8H2,1-2H3 |
| InChIKey | NBVGZNZFOABQMM-UHFFFAOYSA-N |
| Mol Weight | 240.38 g/mol |
| Molecular Formula | C12H16OS2 |
| Exact Mass | 240.064257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2bLJ99zHKS |
|---|---|
| Name | Methyl 3-hydroxy-4-phenylpentanedithioate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16OS2 |
| InChI | InChI=1S/C12H16OS2/c1-9(10-6-4-3-5-7-10)11(13)8-12(14)15-2/h3-7,9,11,13H,8H2,1-2H3 |
| InChIKey | NBVGZNZFOABQMM-UHFFFAOYSA-N |
| Molecular Weight | 240.379 g/mol |
| SMILES | OC(CC(=S)SC)C(c1ccccc1)C |
| SPLASH | splash10-052f-9610000000-efc9b773479fbf0f167b |
| Source of Spectrum | F-48-4142-9 |
| Wiley ID | 1242620 |