| SpectraBase Compound ID | 4yPnJHEWQos |
|---|---|
| InChI | InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+ |
| InChIKey | UZFLPKAIBPNNCA-BQYQJAHWSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DQHBB6NUKEH |
|---|---|
| Name | 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one |
| CAS Registry Number | 127-41-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+ |
| InChIKey | UZFLPKAIBPNNCA-BQYQJAHWSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | CC1(C)CCC=C(C1\C=C\C(=O)C)C |
| SPLASH | splash10-006x-9800000000-5bc50bfae2cc3f1389f8 |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (E)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- (E)-(1)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (E)-.alpha.-Ionone (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-one (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one .alpha.-Ionone 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)- 4-(2,6,6-Trimethyl-cyclohex-2-enyl)-but-3-en-2-one Ionone Ionone, alpha Iraldeine Irisone trans-.alpha.-Ionone AI3-16056 EINECS 204-841-6 EINECS 230-010-2 EINECS 250-293-6 FEMA NO. 2594 NSC 34560 |
| Wiley ID | 742196 |