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[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid

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[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid
SpectraBase Compound ID 5NTJsUmOYh5
InChI InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKey OTGSESBEJUHCES-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J6VA4UW67kv
Name [3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.099773610 u
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKey OTGSESBEJUHCES-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES C(OC1=C(C=CC(=C1)CC(=O)O)C(=O)OCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936503