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(+-)-Coronafacic acid methyl ester
SpectraBase Compound ID CcLaTVlRotT
InChI InChI=1S/C13H18O3/c1-3-8-6-10-9(4-5-12(10)14)11(7-8)13(15)16-2/h7-10H,3-6H2,1-2H3
InChIKey JFQZLUHNTJFKMY-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CY29AXjChXN
Name (+-)-Coronafacic acid methyl ester
Alternate Name(s) Methyl 6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylate
CAS Registry Number 73961-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-8-6-10-9(4-5-12(10)14)11(7-8)13(15)16-2/h7-10H,3-6H2,1-2H3
InChIKey JFQZLUHNTJFKMY-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C=1(C2C(C(=O)CC2)CC(C1)CC)C(=O)OC
SPLASH splash10-00xr-0960000000-39807d5ca4ad8946b6e3
Source of Spectrum AJ-57-1905-16
Wiley ID 1222643