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Octanoic acid, 5-chloro-, methyl ester
SpectraBase Compound ID 651BQNEHbE
InChI InChI=1S/C9H17ClO2/c1-3-5-8(10)6-4-7-9(11)12-2/h8H,3-7H2,1-2H3
InChIKey PKNZAVUQCXBLRX-UHFFFAOYSA-N
Mol Weight 192.69 g/mol
Molecular Formula C9H17ClO2
Exact Mass 192.091707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hae1tOwtv45
Name Octanoic acid, 5-chloro-, methyl ester
CAS Registry Number 67963-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17ClO2
InChI InChI=1S/C9H17ClO2/c1-3-5-8(10)6-4-7-9(11)12-2/h8H,3-7H2,1-2H3
InChIKey PKNZAVUQCXBLRX-UHFFFAOYSA-N
Molecular Weight 192.686 g/mol
SMILES C(=O)(OC)CCCC(Cl)CCC
SPLASH splash10-0abc-9000000000-a2caeae018f817ba2027
Source of Spectrum F-34-795-4
Synonyms Methyl-5-chloro octanoate 5-Chlorooctanoic acid methyl ester Methyl 5-chlorooctanoate Methyl 5-chloranyloctanoate
Wiley ID 1188087