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E-(2,3)-3-methyl-6-prop-2-ylidene-2-(anti-1-acetoxyethyl)cyclohexanone
SpectraBase Compound ID F0rpEbVEi9V
InChI InChI=1S/C14H22O3/c1-8(2)12-7-6-9(3)13(14(12)16)10(4)17-11(5)15/h9-10,13H,6-7H2,1-5H3
InChIKey JCTPEFLFUKLBFA-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 A26jlptZvJv
Name E-(2,3)-3-methyl-6-prop-2-ylidene-2-(anti-1-acetoxyethyl)cyclohexanone
Alternate Name(s) 1-[6-methyl-3-(1-methylethylidene)-2-oxocyclohexyl]ethyl acetate
CAS Registry Number 127644-23-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-8(2)12-7-6-9(3)13(14(12)16)10(4)17-11(5)15/h9-10,13H,6-7H2,1-5H3
InChIKey JCTPEFLFUKLBFA-UHFFFAOYSA-N
Molecular Weight 238.327 g/mol
SMILES C1(C(CCC(C1C(OC(=O)C)C)C)=C(C)C)=O
SPLASH splash10-072i-1900000000-4b2800eed2d5a0341ea6
Source of Spectrum F-45-6110-3
Wiley ID 1240788