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Benzeneacetic acid, pentadecyl ester

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

Benzeneacetic acid, pentadecyl ester
SpectraBase Compound ID D043XZjoNBs
InChI InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25-23(24)21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3
InChIKey IFXJISXMNFGPRF-UHFFFAOYSA-N
Mol Weight 346.6 g/mol
Molecular Formula C23H38O2
Exact Mass 346.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LPkVlhmTTTl
Name Benzeneacetic acid, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.287180462 u
Formula C23H38O2
InChI InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25-23(24)21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3
InChIKey IFXJISXMNFGPRF-UHFFFAOYSA-N
Molecular Weight 346.555 g/mol
SMILES C1=CC(CC(OCCCCCCCCCCCCCCC)=O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92917