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3-Chloropropionic acid, tridec-2-ynyl ester

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

3-Chloropropionic acid, tridec-2-ynyl ester
SpectraBase Compound ID FtDxl0I2PzB
InChI InChI=1S/C16H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16(18)13-14-17/h2-10,13-15H2,1H3
InChIKey FWHBIDZGLNVDFD-UHFFFAOYSA-N
Mol Weight 286.84 g/mol
Molecular Formula C16H27ClO2
Exact Mass 286.169958 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FaxFWQjDDF0
Name 3-Chloropropionic acid, tridec-2-ynyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.169957807 u
Formula C16H27ClO2
InChI InChI=1S/C16H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16(18)13-14-17/h2-10,13-15H2,1H3
InChIKey FWHBIDZGLNVDFD-UHFFFAOYSA-N
Molecular Weight 286.843 g/mol
SMILES CCCCCCCCCCC#CCOC(CCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883632