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Benzeneacetic acid, tridecyl ester

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

Benzeneacetic acid, tridecyl ester
SpectraBase Compound ID 5yVLX91nOdl
InChI InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-23-21(22)19-20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3
InChIKey SNLBHDFFCAXVDE-UHFFFAOYSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 29kyujCFCcq
Name Benzeneacetic acid, tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.255880333 u
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-23-21(22)19-20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3
InChIKey SNLBHDFFCAXVDE-UHFFFAOYSA-N
Molecular Weight 318.501 g/mol
SMILES C1=CC(CC(OCCCCCCCCCCCCC)=O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951455