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Crocusatin-A [(4S)-4-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-one]
SpectraBase Compound ID J16si8ASPuU
InChI InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3/t7-/m1/s1
InChIKey CZWSBAFIAZKCRV-SSDOTTSWSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fea5v9q0E4P
Name Crocusatin-A [(4S)-4-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-one]
CAS Registry Number 64809-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,7,10H,5H2,1-3H3/t7-/m1/s1
InChIKey CZWSBAFIAZKCRV-SSDOTTSWSA-N
Molecular Weight 154.209 g/mol
SMILES O[C@]1(CC(C(C(=C1)C)=O)(C)C)[H]
SPLASH splash10-0002-9100000000-a27a75c00f074ba1fecd
Source of Spectrum H-64-2415-0
Synonyms 2-Cyclohexen-1-one, 4-hydroxy-2,6,6-trimethyl-, (S)- (4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-one (4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enone (4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-one (4S)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-one
Wiley ID 1151201