| SpectraBase Compound ID | JgiKtOeIKZS |
|---|---|
| InChI | InChI=1S/C21H30S/c1-16-11-12-19-20(2,3)13-8-14-21(19,4)18(16)15-22-17-9-6-5-7-10-17/h5-7,9-11,18-19H,8,12-15H2,1-4H3/t18-,19-,21+/m0/s1 |
| InChIKey | NKEJVXYVDUVRMJ-IRFCIJBXSA-N |
| Mol Weight | 314.53 g/mol |
| Molecular Formula | C21H30S |
| Exact Mass | 314.206822 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CySRzxpesPz |
|---|---|
| Name | 11-Benzenesulfanyl-drim-7-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30S |
| InChI | InChI=1S/C21H30S/c1-16-11-12-19-20(2,3)13-8-14-21(19,4)18(16)15-22-17-9-6-5-7-10-17/h5-7,9-11,18-19H,8,12-15H2,1-4H3/t18-,19-,21+/m0/s1 |
| InChIKey | NKEJVXYVDUVRMJ-IRFCIJBXSA-N |
| Molecular Weight | 314.531 g/mol |
| SMILES | [C@]12([C@@](CC=C([C@@]2(CSc2ccccc2)[H])C)(C(C)(C)CCC1)[H])C |
| SPLASH | splash10-0a59-6902000000-a3713238598030352094 |
| Source of Spectrum | F-50-154-22 |
| Synonyms | (4aS,5S)-1,1,4a,6-tetramethyl-5-[(phenylsulfanyl)methyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene (4aS,5S,8aS)-1,1,4a,6-Tetramethyl-5-phenylsulfanylmethyl-1,2,3,4,4a,5,8,8a-octahydro-naphthalene [(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methyl phenyl sulfide |
| Wiley ID | 1315628 |