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Cyclopentaneacetaldehyde, 1-methyl-2-(1-methyl-2-oxopropyl)-5-oxo-, [1.alpha.,2.beta.(S*)]-(.+-.)-
SpectraBase Compound ID C2vn9xdYFfD
InChI InChI=1S/C12H18O3/c1-8(9(2)14)10-4-5-11(15)12(10,3)6-7-13/h7-8,10H,4-6H2,1-3H3/t8?,10-,12+/m0/s1
InChIKey CJWVXQSQTOVGMV-USQOSVOJSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJxENw3ykp1
Name Cyclopentaneacetaldehyde, 1-methyl-2-(1-methyl-2-oxopropyl)-5-oxo-, [1.alpha.,2.beta.(S*)]-(.+-.)-
Alternate Name(s) 3-(3-oxo-2-butyl)-2-methyl-2-formylmethylcyclopentanone (isomer a) 3-(3-oxo-2-butyl)-2-methyl-2-formylmethylcyclopentanone (isomer b) [(1R,2S)-1-methyl-2-(1-methyl-2-oxopropyl)-5-oxocyclopentyl]acetaldehyde
CAS Registry Number 76156-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-8(9(2)14)10-4-5-11(15)12(10,3)6-7-13/h7-8,10H,4-6H2,1-3H3/t8?,10-,12+/m0/s1
InChIKey CJWVXQSQTOVGMV-USQOSVOJSA-N
Molecular Weight 210.273 g/mol
SMILES [C@@]1([C@](C(C(=O)C)C)(CCC1=O)[H])(CC=O)C
SPLASH splash10-0292-4900000000-1df241e3eb8544e845aa
Source of Spectrum C-104-7179-0
Wiley ID 1209129