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3-Chloropropionic acid, hexadecyl ester

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

3-Chloropropionic acid, hexadecyl ester
SpectraBase Compound ID 3V90uqGO9S3
InChI InChI=1S/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19(21)16-17-20/h2-18H2,1H3
InChIKey HKMCSNOMIKTPRU-UHFFFAOYSA-N
Mol Weight 333.0 g/mol
Molecular Formula C19H37ClO2
Exact Mass 332.248208 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FJt7ABzwGAX
Name 3-Chloropropionic acid, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.248208129 u
Formula C19H37ClO2
InChI InChI=1S/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19(21)16-17-20/h2-18H2,1H3
InChIKey HKMCSNOMIKTPRU-UHFFFAOYSA-N
Molecular Weight 332.956 g/mol
SMILES C(Cl)CC(=O)OCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928313