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Oxalic acid, butyl 2-phenylethyl ester

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Oxalic acid, butyl 2-phenylethyl ester
SpectraBase Compound ID E3iQSOajJgu
InChI InChI=1S/C14H18O4/c1-2-3-10-17-13(15)14(16)18-11-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKey OWGZQOUHHPKQKD-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID zYgH6Uwuad
Name Oxalic acid, butyl 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-2-3-10-17-13(15)14(16)18-11-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKey OWGZQOUHHPKQKD-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES CCCCOC(C(OCCC1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849603