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Chloroacetic acid, 2-pentadecyl ester

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

Chloroacetic acid, 2-pentadecyl ester
SpectraBase Compound ID 3vNGS9UsmDE
InChI InChI=1S/C17H33ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-17(19)15-18/h16H,3-15H2,1-2H3
InChIKey MRYWSRKNYNGJAN-UHFFFAOYSA-N
Mol Weight 304.9 g/mol
Molecular Formula C17H33ClO2
Exact Mass 304.216908 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8jFhP55ZPTm
Name Chloroacetic acid, 2-pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.216908001 u
Formula C17H33ClO2
InChI InChI=1S/C17H33ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-17(19)15-18/h16H,3-15H2,1-2H3
InChIKey MRYWSRKNYNGJAN-UHFFFAOYSA-N
Molecular Weight 304.902 g/mol
SMILES CCCCCCCCCCCCCC(OC(CCl)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89806