cis-Ethyl 3-[3-oxo-2-(2-oxoethyl)cyclopentyl]propanoate

SpectraBase Compound ID	A4srVhKx7uC
InChI	InChI=1S/C12H18O4/c1-2-16-12(15)6-4-9-3-5-11(14)10(9)7-8-13/h8-10H,2-7H2,1H3
InChIKey	ZQTZUPCQKWKXQH-UHFFFAOYSA-N Google Search
Mol Weight	226.27 g/mol
Molecular Formula	C12H18O4
Exact Mass	226.120509 g/mol

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SpectraBase Spectrum ID	De5ER3uNrdz
Name	cis-Ethyl 3-[3-oxo-2-(2-oxoethyl)cyclopentyl]propanoate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	226.120509056 u
Formula	C12H18O4
InChI	InChI=1S/C12H18O4/c1-2-16-12(15)6-4-9-3-5-11(14)10(9)7-8-13/h8-10H,2-7H2,1H3
InChIKey	ZQTZUPCQKWKXQH-UHFFFAOYSA-N
Molecular Weight	226.272 g/mol
SMILES	C1(C(C(CCC(=O)OCC)CC1)CC=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.981729