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3-Buten-2-one, 4-(2-hydroxy-2,6,6-trimethylcyclohexyl)-
SpectraBase Compound ID HxL0orQzZFJ
InChI InChI=1S/C13H22O2/c1-10(14)6-7-11-12(2,3)8-5-9-13(11,4)15/h6-7,11,15H,5,8-9H2,1-4H3/b7-6+
InChIKey SFRUDMZKQYLSRE-VOTSOKGWSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MlBoJwDwkW
Name 3-Buten-2-one, 4-(2-hydroxy-2,6,6-trimethylcyclohexyl)-
CAS Registry Number 55955-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-10(14)6-7-11-12(2,3)8-5-9-13(11,4)15/h6-7,11,15H,5,8-9H2,1-4H3/b7-6+
InChIKey SFRUDMZKQYLSRE-VOTSOKGWSA-N
Molecular Weight 210.317 g/mol
SMILES OC1(C(C(CCC1)(C)C)\C=C\C(C)=O)C
SPLASH splash10-0006-9200000000-3969fbb8fcfe25ceb9b7
Source of Spectrum H-62-575-0
Synonyms (3E)-4-(2-Hydroxy-2,6,6-trimethylcyclohexyl)-3-buten-2-one (E)-4-(2,2,6-trimethyl-6-oxidanyl-cyclohexyl)but-3-en-2-one (E)-4-(2-hydroxy-2,6,6-trimethyl-cyclohexyl)but-3-en-2-one (E)-4-(2-hydroxy-2,6,6-trimethylcyclohexyl)-3-buten-2-one
Wiley ID 1209516