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(2E)-1-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
SpectraBase Compound ID FeegKj4A3K8
InChI InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)10(14)7-8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5+
InChIKey NOORESDHJXLGAO-AATRIKPKSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ag9xMtvMuDA
Name (2E)-1-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
Alternate Name(s) (E)-1-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)but-2-en-1-one (E)-1-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-2-buten-1-one (E)-1-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)but-2-en-1-one 3-Hydroxy-.beta.-damascone
CAS Registry Number 102488-09-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)10(14)7-8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5+
InChIKey NOORESDHJXLGAO-AATRIKPKSA-N
Molecular Weight 208.301 g/mol
SMILES OC1C(=C(C(\C=C\C)=O)C(CC1)(C)C)C
SPLASH splash10-01bc-9410000000-798b59af7b4988061a34
Source of Spectrum Va-0-0-0
Wiley ID 739136