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1-(1-Hydroxycyclohexyl)-3,3-dimethyl-2-butanone
SpectraBase Compound ID mqRyu7rrY8
InChI InChI=1S/C12H22O2/c1-11(2,3)10(13)9-12(14)7-5-4-6-8-12/h14H,4-9H2,1-3H3
InChIKey QPRRZURRQSJTQR-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2e1cD8H0WTG
Name 1-(1-Hydroxycyclohexyl)-3,3-dimethyl-2-butanone
CAS Registry Number 59671-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-11(2,3)10(13)9-12(14)7-5-4-6-8-12/h14H,4-9H2,1-3H3
InChIKey QPRRZURRQSJTQR-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES OC1(CC(C(C)(C)C)=O)CCCCC1
SPLASH splash10-052g-9100000000-f2f5734a674126010f4f
Source of Spectrum J-41-3080-0
Synonyms 1-(1-hydroxycyclohexyl)-3,3-dimethyl-butan-2-one 3,3-Dimethyl-1-(1-oxidanylcyclohexyl)butan-2-one
Wiley ID 1195984