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2-Chloroethyl (9E)-9-octadecenoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Chloroethyl (9E)-9-octadecenoate
SpectraBase Compound ID CIq72g0TU1U
InChI InChI=1S/C20H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10H,2-8,11-19H2,1H3/b10-9+
InChIKey VEFKNRVOMTXTSC-MDZDMXLPSA-N
Mol Weight 345.0 g/mol
Molecular Formula C20H37ClO2
Exact Mass 344.248208 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4r4rt8OzOtr
Name 2-Chloroethyl (9E)-9-octadecenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.248208129 u
Formula C20H37ClO2
InChI InChI=1S/C20H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10H,2-8,11-19H2,1H3/b10-9+
InChIKey VEFKNRVOMTXTSC-MDZDMXLPSA-N
Molecular Weight 344.967 g/mol
SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974632