| SpectraBase Compound ID | iXdSWmNlaB |
|---|---|
| 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-HJWRWDBZSA-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 | 2ujhtkr1RCm |
|---|---|
| Name | .alpha.-Ionone, methyl- |
| Alternate Name(s) | 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)- (3E)-4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one (Z)-4-(2,5,6,6-tetramethyl-1-cyclohex-2-enyl)-3-buten-2-one (Z)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one .alpha.-Ionone, 6-methyl- .alpha.-Irone 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, cis- 4-(2,5,6,6-Tetramethylcyclohex-2-enyl)but-3-en-2-one 6-Methyl-.alpha.-ionone cis-.alpha.-Irone Irone .alpha. a Irone .alpha. b Methyl-.alpha.-ionone AI3-36190 BRN 1343498 EINECS 201-219-6 FEMA NO. 2597 |
| CAS Registry Number | 79-69-6 |
| Comments | Less than 3 mono-isotopic peaks |
| 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-HJWRWDBZSA-N |
| Molecular Weight | 206.329 g/mol |
| SMILES | CC1CC=C(C)C(\C=C/C(C)=O)C1(C)C |
| SPLASH | splash10-0006-9010000000-323645c8cc2bb2dc30c4 |
| Source of Spectrum | Va-0-0-0 |
| Wiley ID | 742459 |