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3-Chloropropionic acid, undec-2-enyl ester

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

3-Chloropropionic acid, undec-2-enyl ester
SpectraBase Compound ID Aka5JAnvnka
InChI InChI=1S/C14H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h9-10H,2-8,11-13H2,1H3/b10-9+
InChIKey SRHPHYGOUXFJTB-MDZDMXLPSA-N
Mol Weight 260.8 g/mol
Molecular Formula C14H25ClO2
Exact Mass 260.154308 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5IuponzoF9O
Name 3-Chloropropionic acid, undec-2-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.154307743 u
Formula C14H25ClO2
InChI InChI=1S/C14H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h9-10H,2-8,11-13H2,1H3/b10-9+
InChIKey SRHPHYGOUXFJTB-MDZDMXLPSA-N
Molecular Weight 260.805 g/mol
SMILES CCCCCCCC\C=C\COC(CCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939397