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2-Furanpropanoic acid, tetrahydro-.alpha.-methyl-, methyl ester

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

2-Furanpropanoic acid, tetrahydro-.alpha.-methyl-, methyl ester
SpectraBase Compound ID B1p99UYGSMe
InChI InChI=1S/C9H16O3/c1-7(9(10)11-2)6-8-4-3-5-12-8/h7-8H,3-6H2,1-2H3
InChIKey KSXPBEMJERSZKV-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EwPEGkDRoAI
Name 2-Furanpropanoic acid, tetrahydro-.alpha.-methyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 172.109944372 u
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(9(10)11-2)6-8-4-3-5-12-8/h7-8H,3-6H2,1-2H3
InChIKey KSXPBEMJERSZKV-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(C(CC1OCCC1)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981931