3-[1,3]Dioxolan-2-ylmethyl-pentanoic acid ethyl ester

SpectraBase Compound ID	FhEKdsTPX0p
InChI	InChI=1S/C11H20O4/c1-3-9(11(12)13-4-2)5-6-10-14-7-8-15-10/h9-10H,3-8H2,1-2H3
InChIKey	QPGSZODYQOOLTB-UHFFFAOYSA-N Google Search
Mol Weight	216.28 g/mol
Molecular Formula	C11H20O4
Exact Mass	216.136159 g/mol

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SpectraBase Spectrum ID	8zS3oqKT2wm
Name	3-[1,3]Dioxolan-2-ylmethyl-pentanoic acid ethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	216.136159120 u
Formula	C11H20O4
InChI	InChI=1S/C11H20O4/c1-3-9(11(12)13-4-2)5-6-10-14-7-8-15-10/h9-10H,3-8H2,1-2H3
InChIKey	QPGSZODYQOOLTB-UHFFFAOYSA-N
Molecular Weight	216.277 g/mol
SMILES	C(=O)(C(CCC1OCCO1)CC)OCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.905602