For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Phenylacetic acid, 4-chloro-, dodecyl ester

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

Phenylacetic acid, 4-chloro-, dodecyl ester
SpectraBase Compound ID LwybRndzTg2
InChI InChI=1S/C20H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(22)17-18-12-14-19(21)15-13-18/h12-15H,2-11,16-17H2,1H3
InChIKey SVPRXBKABDSHJT-UHFFFAOYSA-N
Mol Weight 338.92 g/mol
Molecular Formula C20H31ClO2
Exact Mass 338.201258 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2sqLX36WOFN
Name Phenylacetic acid, 4-chloro-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.201257936 u
Formula C20H31ClO2
InChI InChI=1S/C20H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(22)17-18-12-14-19(21)15-13-18/h12-15H,2-11,16-17H2,1H3
InChIKey SVPRXBKABDSHJT-UHFFFAOYSA-N
Molecular Weight 338.919 g/mol
SMILES C(OCCCCCCCCCCCC)(CC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945317