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2-Chloro-4-methylpentanoic acid
SpectraBase Compound ID KvsQTJPQBYi
InChI InChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
InChIKey CBQBIPRPIHIKPW-UHFFFAOYSA-N
Mol Weight 150.6 g/mol
Molecular Formula C6H11ClO2
Exact Mass 150.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SPnGFovx6
Name 2-Chloro-4-methylpentanoic acid
Alternate Name(s) (S)-2-Chloro-4-methylvaleric acid 2-Chloro-4-methyl-pentanoic acid 2-Chloranyl-4-methyl-pentanoic acid
CAS Registry Number 28659-81-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11ClO2
InChI InChI=1S/C6H11ClO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
InChIKey CBQBIPRPIHIKPW-UHFFFAOYSA-N
Molecular Weight 150.605 g/mol
SMILES OC(C(CC(C)C)Cl)=O
SPLASH splash10-052f-9000000000-cb8dce1d1a23d9a4d847
Source of Spectrum NP-1-4570-0
Wiley ID 1098919