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Oxalic acid, 2-phenylethyl propyl ester

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Oxalic acid, 2-phenylethyl propyl ester
SpectraBase Compound ID 1mEnr390zI1
InChI InChI=1S/C13H16O4/c1-2-9-16-12(14)13(15)17-10-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey VRJCMLBKXRKYII-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LqrDh6oZzST
Name Oxalic acid, 2-phenylethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-2-9-16-12(14)13(15)17-10-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey VRJCMLBKXRKYII-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES CCCOC(C(OCCC=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80405