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D4jsoFoMhgV
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D4jsoFoMhgV
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(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
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
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4jsoFoMhgV
Name 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS Registry Number 14901-07-6
Copyright Copyright © 2020-2025 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 splash10-004l-9600000000-4dae3c2ebf6dbbd296ba
Source of Spectrum Va-0-0-0
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 742200
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