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(Z)-6-chloro-2-(chloromethyl)hex-2-enoic acid methyl ester

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

(Z)-6-chloro-2-(chloromethyl)hex-2-enoic acid methyl ester
SpectraBase Compound ID GdydaEThqoS
InChI InChI=1S/C8H12Cl2O2/c1-12-8(11)7(6-10)4-2-3-5-9/h4H,2-3,5-6H2,1H3/b7-4+
InChIKey JZOSGBXVVLZNPQ-QPJJXVBHSA-N
Mol Weight 211.09 g/mol
Molecular Formula C8H12Cl2O2
Exact Mass 210.021435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1PCBKNSkHaq
Name (Z)-6-Chloro-2-(chloromethyl)hex-2-enoic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.021435024 u
Formula C8H12Cl2O2
InChI InChI=1S/C8H12Cl2O2/c1-12-8(11)7(6-10)4-2-3-5-9/h4H,2-3,5-6H2,1H3/b7-4+
InChIKey JZOSGBXVVLZNPQ-QPJJXVBHSA-N
Molecular Weight 211.088 g/mol
SMILES C(\C(=C\CCCCl)CCl)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811018