| SpectraBase Compound ID | 8ZUWs3ZgYyo |
|---|---|
| InChI | InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+ |
| InChIKey | POIARNZEYGURDG-FNORWQNLSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3OKhWn9rJoR |
|---|---|
| Name | (2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one |
| CAS Registry Number | 23726-93-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+ |
| InChIKey | POIARNZEYGURDG-FNORWQNLSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C=1CC(C)(C)C(=C(C)C1)C(=O)\C=C\C |
| SPLASH | splash10-014l-9400000000-22a2edc4954ff57581ea |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)- (E)-.beta.-Damascenone (E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one (E)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)-2-buten-1-one (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one .beta.-Damascenone 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one 2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)- 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one Damascenone Damascenone, trans- trans-.beta.-Damascenone trans-Damascenone EINECS 245-833-2 EINECS 245-844-2 FEMA NO. 3420 |
| Wiley ID | 739126 |