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Butanoic acid, 3-methyl-, 2-chloroethyl ester
SpectraBase Compound ID LMsHPWLUxXM
InChI InChI=1S/C7H13ClO2/c1-6(2)5-7(9)10-4-3-8/h6H,3-5H2,1-2H3
InChIKey JYHBZBYMWFDQQQ-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 KfQKsdv0MHl
Name Butanoic acid, 3-methyl-, 2-chloroethyl ester
CAS Registry Number 5452-00-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13ClO2
InChI InChI=1S/C7H13ClO2/c1-6(2)5-7(9)10-4-3-8/h6H,3-5H2,1-2H3
InChIKey JYHBZBYMWFDQQQ-UHFFFAOYSA-N
Molecular Weight 164.632 g/mol
SMILES CC(CC(=O)OCCCl)C
SPLASH splash10-01rf-9000000000-165758d744ecc7389864
Source of Spectrum JC-366-94-14
Synonyms 2-Chloroethyl 3-methylbutanoate 3-Methylbutanoic acid 2-chloroethyl ester 3-Methylbutyric acid 2-chloroethyl ester
Wiley ID 1159921