SpectraBase Compound ID | GVOQh94tj8u |
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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 |
SpectraBase Spectrum ID | 4oD1DKMKpQ0 |
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Name | 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
CAS Registry Number | 14901-07-6 |
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 | CC(\C=C\C=1C(C)(C)CCCC1C)=O |
SPLASH | splash10-002f-7900000000-40ed35b855b87a8c4200 |
Source of Spectrum | EP-5385-0-0 |
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 | 145107 |