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2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl-, (R*,S*)-
SpectraBase Compound ID 3FC5uORr163
InChI InChI=1S/C13H20O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h8,10,12H,4-7H2,1-3H3/t10-,12+/m0/s1
InChIKey UICMPCKQBBYKCA-CMPLNLGQSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIo4NGYrp1P
Name 2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl-, (R*,S*)-
Alternate Name(s) (3S)-3-[(1R)-4-methyl-2-oxo-3-cyclohexen-1-yl]butyl acetate 1-Acetoxy-3-(4'-methyl-2'oxo-cyclohex-3'-en-1'-yl)butane (racemic)
CAS Registry Number 62048-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h8,10,12H,4-7H2,1-3H3/t10-,12+/m0/s1
InChIKey UICMPCKQBBYKCA-CMPLNLGQSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C=C(C)CC[C@@]1([C@](CCOC(=O)C)(C)[H])[H])=O
SPLASH splash10-03dl-6900000000-b45e37fa0576f99133d9
Source of Spectrum H-59-709-30
Wiley ID 1225229