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Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester
SpectraBase Compound ID 8w6VemtFFBK
InChI InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3
InChIKey ZAJNMXDBJKCCAT-UHFFFAOYSA-N
Mol Weight 166.6 g/mol
Molecular Formula C6H11ClO3
Exact Mass 166.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WDfGjFwi3I
Name ethyl 4-chloro-3-hydroxy-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.039671911 u
Formula C6H11ClO3
GC Column HP-5
InChI InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3
InChIKey ZAJNMXDBJKCCAT-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211912
Molecular Weight 166.604 g/mol
Quality 906
SMILES OC(CCl)CC(OCC)=O
SPLASH splash10-00y0-9500000000-2541ec2119e9582bfcfc
Source of Spectrum ACI-61-SM39-39-2 (DOI: 10.1002/anie.202211912)
Wiley ID 1899603