| SpectraBase Compound ID | BfulX4F8ox1 |
|---|---|
| InChI | InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+ |
| InChIKey | CRIGTVCBMUKRSL-FNORWQNLSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 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 | 3sFr8ZxcpQL |
|---|---|
| Name | (2E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one |
| CAS Registry Number | 57549-92-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+ |
| InChIKey | CRIGTVCBMUKRSL-FNORWQNLSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C1(C(=CCCC1(C)C)C)C(\C=C\C)=O |
| SPLASH | splash10-00di-3900000000-a77a75031e06baaba73a |
| Source of Spectrum | J-57-2759-1 |
| Synonyms | (E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-buten-1-one (E)-.alpha.-Damascone (E)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- 4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-4-one TMCHB trans-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- trans-.alpha.-Damascone EINECS 246-430-4 FEMA NO. 3659 |
| Wiley ID | 1189058 |