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Isobutyl 3-chloropropanoate
SpectraBase Compound ID Hsb4v9nwUNg
InChI InChI=1S/C7H13ClO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3
InChIKey NLGHCSSXCMOGKD-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 IuQbhONo3qt
Name Isobutyl 3-chloropropanoate
CAS Registry Number 62108-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13ClO2
InChI InChI=1S/C7H13ClO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3
InChIKey NLGHCSSXCMOGKD-UHFFFAOYSA-N
Molecular Weight 164.632 g/mol
SMILES C(Cl)CC(=O)OCC(C)C
SPLASH splash10-052f-9000000000-fd8310d6ea8a9ea2d559
Source of Spectrum NP-2-1119-0
Synonyms 3-Chloropropanoic acid 2-methylpropyl ester 3-Chloropropionic acid, 2-methylpropyl ester Propanoic acid, 3-chloro-, 2-methylpropyl ester 2-Methylpropyl 3-chloropropanoate 2-Methylpropyl 3-chloranylpropanoate
Wiley ID 1100378