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2-{5-[2-(Acetyloxy)propyl]oxolan-2-yl}propanoic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

2-{5-[2-(Acetyloxy)propyl]oxolan-2-yl}propanoic acid
SpectraBase Compound ID 4ZhOtnWGMJa
InChI InChI=1S/C12H20O5/c1-7(16-9(3)13)6-10-4-5-11(17-10)8(2)12(14)15/h7-8,10-11H,4-6H2,1-3H3,(H,14,15)
InChIKey UNALYPZXDXSXSO-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BgBxbXuxoBM
Name 2-{5-[2-(Acetyloxy)propyl]oxolan-2-yl}propanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.131073739 u
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-7(16-9(3)13)6-10-4-5-11(17-10)8(2)12(14)15/h7-8,10-11H,4-6H2,1-3H3,(H,14,15)
InChIKey UNALYPZXDXSXSO-UHFFFAOYSA-N
Molecular Weight 244.287 g/mol
SMILES C(C1OC(CC(OC(=O)C)C)CC1)(C(=O)O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80171