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2-Butanone, 4-[3-(acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, (.+-.)-
SpectraBase Compound ID 2TbWDW39mRS
InChI InChI=1S/C15H24O3/c1-10(16)6-7-13-11(2)14(18-12(3)17)8-9-15(13,4)5/h14H,6-9H2,1-5H3
InChIKey SOSZBTALJSQORE-UHFFFAOYSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bns10riJNc2
Name 2-Butanone, 4-[3-(acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, (.+-.)-
Alternate Name(s) 2,4,4-Trimethyl-3-(3'-oxo-1'-butyl-)-2-cyclohexen-1-yl acetate 2,4,4-trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-yl acetate
CAS Registry Number 121747-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-10(16)6-7-13-11(2)14(18-12(3)17)8-9-15(13,4)5/h14H,6-9H2,1-5H3
InChIKey SOSZBTALJSQORE-UHFFFAOYSA-N
Molecular Weight 252.354 g/mol
SMILES C1(=C(C(OC(=O)C)CCC1(C)C)C)CCC(=O)C
SPLASH splash10-0006-7900000000-e4805929907677d77918
Source of Spectrum H-71-381-7
Wiley ID 1255869