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3-hydroxy-4-oxo-.beta.-ionone
SpectraBase Compound ID VzCbKCnoHK
InChI InChI=1S/C13H20O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,9-11,15H,7H2,1-4H3/b6-5+
InChIKey FDMSDQHVHYANSA-AATRIKPKSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88eyQvG3UAr
Name 3-hydroxy-4-oxo-.beta.-ionone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,9-11,15H,7H2,1-4H3/b6-5+
InChIKey FDMSDQHVHYANSA-AATRIKPKSA-N
Instrument Name Thermo Fisher Trace ISQ-LT
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100735
Molecular Weight 224.300 g/mol
SMILES OC1CC(C(C(C1=O)C)\C=C\C(=O)C)(C)C
SPLASH splash10-0076-6900000000-bcfd8f656da03a6e1c3b
Source of Spectrum CBD-19-SM5-Figure S5
Wiley ID 1873172