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2-(Hydroxymethyl)-5-(1-hydroxy-1-methylethyl)-2-cyclohexen-1-one
SpectraBase Compound ID JU2b3SjY954
InChI InChI=1S/C10H16O3/c1-10(2,13)8-4-3-7(6-11)9(12)5-8/h3,8,11,13H,4-6H2,1-2H3
InChIKey KDKJFMVECPCJHO-UHFFFAOYSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sP3ipMUeuq
Name 2-(Hydroxymethyl)-5-(1-hydroxy-1-methylethyl)-2-cyclohexen-1-one
CAS Registry Number 97762-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-10(2,13)8-4-3-7(6-11)9(12)5-8/h3,8,11,13H,4-6H2,1-2H3
InChIKey KDKJFMVECPCJHO-UHFFFAOYSA-N
Molecular Weight 184.235 g/mol
SMILES OC(C1CC(C(CO)=CC1)=O)(C)C
SPLASH splash10-0a4i-9200000000-216a7d9e4bdb7332c821
Source of Spectrum W5-1989-35685-29851
Synonyms 2-(hydroxymethyl)-5-(1-hydroxy-1-methyl-ethyl)cyclohex-2-en-1-one 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1-cyclohex-2-enone 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one 2-(hydroxymethyl)-5-(2-oxidanylpropan-2-yl)cyclohex-2-en-1-one 2-Hydroxymethyl-5-(1-hydroxy-1-isopropyl)-2-cyclohexen-1-one 5-(1-hydroxy-1-methyl-ethyl)-2-methylol-cyclohex-2-en-1-one
Wiley ID 1180584