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5-Chlorovaleric acid, 3-pentadecyl ester
SpectraBase Compound ID KbT9a43WgKo
InChI InChI=1S/C20H39ClO2/c1-3-5-6-7-8-9-10-11-12-13-16-19(4-2)23-20(22)17-14-15-18-21/h19H,3-18H2,1-2H3
InChIKey KMJZPWWNSUGDJP-UHFFFAOYSA-N
Mol Weight 347.0 g/mol
Molecular Formula C20H39ClO2
Exact Mass 346.263858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bcQzu8sE0m
Name 5-Chlorovaleric acid, 3-pentadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H39ClO2
InChI InChI=1S/C20H39ClO2/c1-3-5-6-7-8-9-10-11-12-13-16-19(4-2)23-20(22)17-14-15-18-21/h19H,3-18H2,1-2H3
InChIKey KMJZPWWNSUGDJP-UHFFFAOYSA-N
Molecular Weight 346.983 g/mol
SMILES CCCCCCCCCCCCC(OC(CCCCCl)=O)CC
SPLASH splash10-066r-9600000000-8d29fcba78f5b8faa7a9
Source of Spectrum NP-12-5391-0
Synonyms 5-Chloropentanoic acid pentadecan-3-yl ester Pentadecan-3-yl 5-chloropentanoate 1-Ethyltridecyl 5-chloropentanoate Pentadecan-3-yl 5-chloranylpentanoate
Wiley ID 1110386