| SpectraBase Spectrum ID |
5iHFUxBA2Qj |
| Name |
Acetic acid, 1-methyl-3-(2,6,6-trimethylcyclohex-1-enyl)propyl ester |
| CAS Registry Number |
86756-12-9 |
| Comments |
Note: The molecular formula of the structure shown is C15H26O2 - which differs from the formula reported for the mass spectrum (C15H23D3O2) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H23D3O2 |
| InChI |
InChI=1S/C15H26O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h12H,6-10H2,1-5H3 |
| InChIKey |
PSEPWYXAIAKJJV-UHFFFAOYSA-N |
| Molecular Weight |
238.371 g/mol |
| SMILES |
C1CC(C)(C)C(=C(C1)C)CCC(C)OC(=O)C |
| SPLASH |
splash10-00tr-5900000000-db3738614d0a1559d008 |
| Synonyms |
1-Methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl acetate
4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl acetate
4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl ethanoate
Acetic acid 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-yl ester
[1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl] acetate |
| Wiley ID |
1484187 |
