| SpectraBase Compound ID | GVOQh94tj8u |
|---|---|
| InChI | InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+ |
| InChIKey | PSQYTAPXSHCGMF-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 | 11t6q8X248 |
|---|---|
| Name | 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| CAS Registry Number | 79-77-6 |
| 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/h7-8H,5-6,9H2,1-4H3/b8-7+ |
| InChIKey | PSQYTAPXSHCGMF-BQYQJAHWSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | CC1(C)CCCC(=C1\C=C\C(=O)C)C |
| SPLASH | splash10-002f-9700000000-4f0c90f11eda654e1e0c |
| Source of Spectrum | CM-1999-36120-0 |
| Synonyms | (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (E)-.beta.-Ionone (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)- 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one .beta.-Cyclocitrylideneacetone .beta.-E-Ionone .beta.-ionene .beta.-Ionone 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- 4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one Ionone, .beta.- Ionone, beta trans-.beta.-Ionone CCRIS 6249 EINECS 238-969-9 NSC 402758 |
| Wiley ID | 498474 |