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3,4-EPOXY-4-(1'-HYDROXY-2',2'-DIMETHYL-6'-METHYLIDENECYCLOHEXYL)-3-METHYLBUTAN-2-ONE
SpectraBase Compound ID Iih9ZYzdPcz
InChI InChI=1S/C14H22O3/c1-9-7-6-8-12(3,4)14(9,16)11-13(5,17-11)10(2)15/h11,16H,1,6-8H2,2-5H3
InChIKey LEIIQBDSFXTUMZ-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CMWZQcgzyv
Name Ethanone, 1-[3-(1-hydroxy-2,2-dimethyl-6-methylenecyclohexyl)-2-methyloxiranyl]-
Alternate Name(s) 1-[3-(1-hydroxy-2,2-dimethyl-6-methylenecyclohexyl)-2-methyl-2-oxiranyl]ethanone 3,4-Epoxy-4-(1'-hydroperoxy-2',2'-dimethyl-6'-methylidenecyclohexyl)-3-methylbutan-2-one
CAS Registry Number 125257-57-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-9-7-6-8-12(3,4)14(9,16)11-13(5,17-11)10(2)15/h11,16H,1,6-8H2,2-5H3
InChIKey LEIIQBDSFXTUMZ-UHFFFAOYSA-N
Molecular Weight 238.327 g/mol
SMILES OC1(C2C(C(=O)C)(C)O2)C(=C)CCCC1(C)C
SPLASH splash10-0006-9100000000-8413c77c4ba63a2d2322
Source of Spectrum H-72-949-16
Wiley ID 1240809