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2-Cyclohexen-1-one, 3-(benzoyloxy)-6-methyl-
SpectraBase Compound ID CCgaARbMkyI
InChI InChI=1S/C14H14O3/c1-10-7-8-12(9-13(10)15)17-14(16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKey PKKAPLLVJSWRBG-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 843sslt3TYG
Name 2-Cyclohexen-1-one, 3-(benzoyloxy)-6-methyl-
Alternate Name(s) 4-Methyl-3-oxo-1-cyclohexen-1-yl benzoate 4-Methyl-3-oxocyclohex-1-enyl benzoate
CAS Registry Number 66049-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-10-7-8-12(9-13(10)15)17-14(16)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKey PKKAPLLVJSWRBG-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES C=1C(=O)C(C)CCC1OC(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-61d19240e7fe1cfe0e89
Source of Spectrum KC-1977-17-1897
Wiley ID 1231957