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Acetic acid 1-chloro-ethyl ester
SpectraBase Compound ID JHpMzxwT7ZJ
InChI InChI=1S/C4H7ClO2/c1-3(5)7-4(2)6/h3H,1-2H3
InChIKey CGKKDGMMKSOGLM-UHFFFAOYSA-N
Mol Weight 122.55 g/mol
Molecular Formula C4H7ClO2
Exact Mass 122.013457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNXBhARimlj
Name Acetic acid 1-chloro-ethyl ester
CAS Registry Number 5912-58-3
Comments Removed - expert review: contamination (acetone)); Note: The molecular formula of the structure shown is C4H7ClO2 - which differs from the formula reported for the mass spectrum (C4H5ClO2)
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Formula C4H5ClO2
InChI InChI=1S/C4H7ClO2/c1-3(5)7-4(2)6/h3H,1-2H3
InChIKey CGKKDGMMKSOGLM-UHFFFAOYSA-N
Molecular Weight 122.551 g/mol
SMILES CC(=O)OC(Cl)C
SPLASH splash10-0006-9000000000-db6628e42667e6e54c0d
Source of Spectrum SB-37-42-4
Synonyms 1-Chloroethyl acetate 1-Chloroethanol acetate 1-chloroethyl ethanoate acetic acid 1-chloroethyl ester Ethanol, 1-chloro-, acetate
Wiley ID 1126981