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1,3-Dioxolane-2-hexanoic acid, 2-methyl-, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,3-Dioxolane-2-hexanoic acid, 2-methyl-, ethyl ester
SpectraBase Compound ID 1hiRdDUbCHG
InChI InChI=1S/C12H22O4/c1-3-14-11(13)7-5-4-6-8-12(2)15-9-10-16-12/h3-10H2,1-2H3
InChIKey FLJRYGIFNSEAET-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CmFJJ0vw6mw
Name 1,3-Dioxolane-2-hexanoic acid, 2-methyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.151809184 u
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-3-14-11(13)7-5-4-6-8-12(2)15-9-10-16-12/h3-10H2,1-2H3
InChIKey FLJRYGIFNSEAET-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES C1(CCCCCC(OCC)=O)(OCCO1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98927