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5-keto-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylic acid methyl ester
SpectraBase Compound ID Kx55IiWVh0C
InChI InChI=1S/C11H14O3/c1-14-10(13)11-6-2-3-8(11)4-5-9(12)7-11/h4-5,8H,2-3,6-7H2,1H3
InChIKey FQUWEFMKNVOVKD-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iy3kdcRDPA
Name 5-keto-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylic acid methyl ester
CAS Registry Number 97644-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-14-10(13)11-6-2-3-8(11)4-5-9(12)7-11/h4-5,8H,2-3,6-7H2,1H3
InChIKey FQUWEFMKNVOVKD-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
SMILES C12(C(=O)OC)C(C=CC(C2)=O)CCC1
SPLASH splash10-0f79-9000000000-e562630630df2f146b3e
Source of Spectrum J-50-4264-0
Synonyms 5-Oxo-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylic acid methyl ester Methyl 5-oxidanylidene-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylate Methyl 5-oxo-1,2,3,4,5,7a-hexahydro-3aH-indene-3a-carboxylate Methyl 5-oxo-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylate
Wiley ID 1190734