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Crocusatin-C [1-Hydroxymethyl-2,6,6-trimethylcyclohex-2-en-4-one]
SpectraBase Compound ID 355dU4dfYzs
InChI InChI=1S/C10H16O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h4,9,11H,5-6H2,1-3H3/t9-/m1/s1
InChIKey KURIDZCRFQNRTO-SECBINFHSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TpsyzuAjc
Name Crocusatin-C [1-Hydroxymethyl-2,6,6-trimethylcyclohex-2-en-4-one]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h4,9,11H,5-6H2,1-3H3/t9-/m1/s1
InChIKey KURIDZCRFQNRTO-SECBINFHSA-N
Molecular Weight 168.236 g/mol
SMILES OC[C@]1(C(C)(C)CC(C=C1C)=O)[H]
SPLASH splash10-00di-0900000000-3ea79c66ba7142a395be
Source of Spectrum E2-50-1308-3
Synonyms (4S)-4-(hydroxymethyl)-3,5,5-trimethyl-1-cyclohex-2-enone (4S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one (4S)-4-(hydroxymethyl)-3,5,5-trimethyl-cyclohex-2-en-1-one
Wiley ID 1555890