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3-Chloropropionic acid, pentadecyl ester

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

3-Chloropropionic acid, pentadecyl ester
SpectraBase Compound ID CcyVYQSbri9
InChI InChI=1S/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18(20)15-16-19/h2-17H2,1H3
InChIKey DGNDCDPVDOIWCT-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

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SpectraBase Spectrum ID 4eSgypaLCOJ
Name 3-Chloropropionic acid, pentadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18(20)15-16-19/h2-17H2,1H3
InChIKey DGNDCDPVDOIWCT-UHFFFAOYSA-N
Molecular Weight 318.929 g/mol
SMILES C(Cl)CC(=O)OCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923999