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Butanedioic acid, butyl phenylmethyl ester

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

Butanedioic acid, butyl phenylmethyl ester
SpectraBase Compound ID 9ibyONZMvaq
InChI InChI=1S/C15H20O4/c1-2-3-11-18-14(16)9-10-15(17)19-12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKey SISDVYCKRJTJHA-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID YvJPiqCc2C
Name Butanedioic acid, butyl phenylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-2-3-11-18-14(16)9-10-15(17)19-12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKey SISDVYCKRJTJHA-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C1=C(C=CC=C1)COC(=O)CCC(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9134