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

*Links on SpectraBase are not permalinks.

Chloroacetic acid, 4-hexadecyl ester

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

Chloroacetic acid, 4-hexadecyl ester
SpectraBase Compound ID 2XRmErJzBeH
InChI InChI=1S/C18H35ClO2/c1-3-5-6-7-8-9-10-11-12-13-15-17(14-4-2)21-18(20)16-19/h17H,3-16H2,1-2H3
InChIKey UHNOPVKDSAPUTC-UHFFFAOYSA-N
Mol Weight 318.9 g/mol
Molecular Formula C18H35ClO2
Exact Mass 318.232558 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 5d5H8l2ldoT
Name Chloroacetic acid, 4-hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.232558065 u
Formula C18H35ClO2
InChI InChI=1S/C18H35ClO2/c1-3-5-6-7-8-9-10-11-12-13-15-17(14-4-2)21-18(20)16-19/h17H,3-16H2,1-2H3
InChIKey UHNOPVKDSAPUTC-UHFFFAOYSA-N
Molecular Weight 318.929 g/mol
SMILES C(CCCCCCCC)CCCC(CCC)OC(CCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903086