| SpectraBase Compound ID | DKoOal1zHhj |
|---|---|
| InChI | InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+ |
| InChIKey | JZQOJFLIJNRDHK-CMDGGOBGSA-N |
| Mol Weight | 206.33 g/mol |
| Molecular Formula | C14H22O |
| Exact Mass | 206.167065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LkIuDUyvRBk |
|---|---|
| Name | (3E)-4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one |
| CAS Registry Number | 79-69-6 |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H22O |
| InChI | InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+ |
| InChIKey | JZQOJFLIJNRDHK-CMDGGOBGSA-N |
| Molecular Weight | 206.329 g/mol |
| SMILES | C(\C=C\C1C(C)(C)C(C)CC=C1C)(C)=O |
| SPLASH | splash10-0076-8910000000-ff1d9317250be54fce75 |
| Source of Spectrum | PR-332-0-0 |
| Synonyms | (E)-4-(2,5,6,6-tetramethyl-1-cyclohex-2-enyl)-3-buten-2-one Methyl alpha-ionone (E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one .alpha.-Ionone, 6-methyl- 6-Methyl-alpha-ionone .alpha.-Irone .alpha.-Ionone, methyl- alpha-Ionone, methyl- 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)- 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, cis- 4-(2,5,6,6-Tetramethyl-2-cyclo-hexen-1-yl)-3-buten-2-one 4-(2,5,6,6-Tetramethylcyclohex-2-enyl)but-3-en-2-one 6-Methyl-.alpha.-ionone cis-.alpha.-Irone Irone .alpha. b Irone, .alpha. A Methyl-.alpha.-ionone AI3-36190 BRN 1343498 EINECS 201-219-6 FEMA NO. 2597 |
| Wiley ID | 1205248 |