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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 9Ah8MRhAoCX
Name 3-hydroxy-.beta.-ionone
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
Instrument Name Thermo Fisher Trace ISQ-LT
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100735
Molecular Weight 208.301 g/mol
SMILES OC1CC(C(=C(C1)C)\C=C\C(=O)C)(C)C
SPLASH splash10-0006-4900000000-f20a7d7c49be87eeb657
Source of Spectrum CBD-19-SM6-Figure S6
Wiley ID 1873173