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1H-Indene-4-propanoic acid, octahydro-3-oxo-, methyl ester, (3a.alpha.,4.alpha.,7a.alpha.)-
SpectraBase Compound ID A0m1gT2DpIt
InChI InChI=1S/C13H20O3/c1-16-12(15)8-6-10-4-2-3-9-5-7-11(14)13(9)10/h9-10,13H,2-8H2,1H3
InChIKey KQCXRLKJSUAMSI-UHFFFAOYSA-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 KZKH0AkWbmP
Name 1H-Indene-4-propanoic acid, octahydro-3-oxo-, methyl ester, (3a.alpha.,4.alpha.,7a.alpha.)-
Alternate Name(s) 1H-indene-4-propanoic acid, octahydro-3-oxo, methyl ester Methyl 3-(3-oxooctahydro-1H-inden-4-yl)propanoate
CAS Registry Number 126790-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-16-12(15)8-6-10-4-2-3-9-5-7-11(14)13(9)10/h9-10,13H,2-8H2,1H3
InChIKey KQCXRLKJSUAMSI-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C2C(CCCC2CCC(=O)OC)CC1)=O
SPLASH splash10-0arc-9600000000-a3e4fa6f379fc0ed0db0
Source of Spectrum C-112-4006-11
Wiley ID 1225339