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

*Links on SpectraBase are not permalinks.

Phenylacetic acid, 4-chloro-, undecyl ester

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

Phenylacetic acid, 4-chloro-, undecyl ester
SpectraBase Compound ID 8TedkRNRGmo
InChI InChI=1S/C19H29ClO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)16-17-11-13-18(20)14-12-17/h11-14H,2-10,15-16H2,1H3
InChIKey MSKKOMBBMSJAAY-UHFFFAOYSA-N
Mol Weight 324.89 g/mol
Molecular Formula C19H29ClO2
Exact Mass 324.185608 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 FoodjbOPMRN
Name Phenylacetic acid, 4-chloro-, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.185607872 u
Formula C19H29ClO2
InChI InChI=1S/C19H29ClO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)16-17-11-13-18(20)14-12-17/h11-14H,2-10,15-16H2,1H3
InChIKey MSKKOMBBMSJAAY-UHFFFAOYSA-N
Molecular Weight 324.892 g/mol
SMILES C(OCCCCCCCCCCC)(CC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921296