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chloroacetic acid, pentyl ester
SpectraBase Compound ID Hh9gwn1heQW
InChI InChI=1S/C7H13ClO2/c1-2-3-4-5-10-7(9)6-8/h2-6H2,1H3
InChIKey SAOZOMQLKLWJAN-UHFFFAOYSA-N
Mol Weight 164.63 g/mol
Molecular Formula C7H13ClO2
Exact Mass 164.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hRkWRSMgmQ
Name Acetic acid, chloro-, pentyl ester
Alternate Name(s) Pentyl chloroacetate 1-Pentanol, chloroacetate 2-Chloroacetic acid amyl ester 2-Chloroacetic acid pentyl ester Chloroacetic acid, pentyl ester Pentyl 2-chloranylethanoate Pentyl 2-chloroacetate
CAS Registry Number 5411-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13ClO2
InChI InChI=1S/C7H13ClO2/c1-2-3-4-5-10-7(9)6-8/h2-6H2,1H3
InChIKey SAOZOMQLKLWJAN-UHFFFAOYSA-N
Molecular Weight 164.632 g/mol
SMILES CCCCCOC(=O)CCl
SPLASH splash10-0006-9000000000-1fdfc041aa47f67a9673
Source of Spectrum JC-366-94-5
Wiley ID 1159918