![(S)-(E)-2,2,6,6-Tetramethyl-4-[-p-tolylsulfonyl]hept-4-en-3-ol](/api/spectrum/7PQvVFhVrSj/structure.png?h=300&w=458 "(S)-(E)-2,2,6,6-Tetramethyl-4-[-p-tolylsulfonyl]hept-4-en-3-ol")
| SpectraBase Compound ID | 8CSGgEuKpTZ |
|---|---|
| InChI | InChI=1S/C18H28O3S/c1-13-8-10-14(11-9-13)22(20,21)15(12-17(2,3)4)16(19)18(5,6)7/h8-12,16,19H,1-7H3/b15-12+/t16-/m1/s1 |
| InChIKey | IGCDTVXCNDOHFP-ASNKMWSDSA-N |
| Mol Weight | 324.48 g/mol |
| Molecular Formula | C18H28O3S |
| Exact Mass | 324.175916 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7PQvVFhVrSj |
|---|---|
| Name | (S)-(E)-2,2,6,6-Tetramethyl-4-[-p-tolylsulfonyl]hept-4-en-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H28O3S |
| InChI | InChI=1S/C18H28O3S/c1-13-8-10-14(11-9-13)22(20,21)15(12-17(2,3)4)16(19)18(5,6)7/h8-12,16,19H,1-7H3/b15-12+/t16-/m1/s1 |
| InChIKey | IGCDTVXCNDOHFP-ASNKMWSDSA-N |
| Molecular Weight | 324.479 g/mol |
| SMILES | O[C@](\C(S(c1ccc(cc1)C)(=O)=O)=C/C(C)(C)C)(C(C)(C)C)[H] |
| SPLASH | splash10-06yc-0900000000-cae68f94898b88190366 |
| Source of Spectrum | KC-0-72-11 |
| Synonyms | (3S,4Z)-2,2,6,6-tetramethyl-4-[(4-methylphenyl)sulfonyl]-4-hepten-3-ol (R)-(E)-2,2,6,6-Tetramethyl-4-[-p-tolylsulfonyl]hept-4-en-3-ol (E,3S)-2,2,6,6-tetramethyl-4-(4-methylphenyl)sulfonyl-4-hepten-3-ol (E,3S)-2,2,6,6-tetramethyl-4-(4-methylphenyl)sulfonylhept-4-en-3-ol (E,3S)-2,2,6,6-tetramethyl-4-(p-tolylsulfonyl)hept-4-en-3-ol (E,3S)-2,2,6,6-tetramethyl-4-(4-methylphenyl)sulfonyl-hept-4-en-3-ol |
| Wiley ID | 778740 |