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(3E)-4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
SpectraBase Compound ID ExJNhB0YZnB
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+
InChIKey HFRZSVYKDDZRQY-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 4IVDWiL7TPg
Name (3E)-4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
Alternate Name(s) (E)-4-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)but-3-en-2-one (E)-4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one (E)-4-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)but-3-en-2-one 4-Hydroxy-.beta.-ionone
CAS Registry Number 116296-75-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+
InChIKey HFRZSVYKDDZRQY-AATRIKPKSA-N
Molecular Weight 208.301 g/mol
SMILES OC1CC(C(=C(C1)C)\C=C\C(=O)C)(C)C
SPLASH splash10-052f-9800000000-8145e6f2c6a82d7807f2
Source of Spectrum X2-51-952-10
Wiley ID 1602823