| SpectraBase Compound ID | HhRG1f5yVPb |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | SYVOMAJRFUGVQI-AATRIKPKSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6QK3UsX31oX |
|---|---|
| Name | 2,3-Dehydro-4-oxo-.beta.-ionone |
| Alternate Name(s) | 2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2,5-cyclohexadien-1-one 2,4,4-trimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohexa-2,5-dien-1-one 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohexa-2,5-dienone 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohexa-2,5-dien-1-one 3-[(E)-3-ketobut-1-enyl]-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one |
| CAS Registry Number | 77503-87-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | SYVOMAJRFUGVQI-AATRIKPKSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1(=C(C(=O)C=CC1(C)C)C)\C=C\C(=O)C |
| SPLASH | splash10-052f-9300000000-d5b5efe7cdd3361ff788 |
| Source of Spectrum | PR-240-0-0 |
| Wiley ID | 1202113 |