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3-Chloro-3-butenoic acid
SpectraBase Compound ID 2hQWOAeig1P
InChI InChI=1S/C4H5ClO2/c1-3(5)2-4(6)7/h1-2H2,(H,6,7)
InChIKey OSNGODILMZETAE-UHFFFAOYSA-N
Mol Weight 120.53 g/mol
Molecular Formula C4H5ClO2
Exact Mass 119.997807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQTtFaRmeFk
Name 3-Chloro-3-butenoic acid
Alternate Name(s) 3-chloranylbut-3-enoic acid 3-chlorobut-3-enoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C4H5ClO2
InChI InChI=1S/C4H5ClO2/c1-3(5)2-4(6)7/h1-2H2,(H,6,7)
InChIKey OSNGODILMZETAE-UHFFFAOYSA-N
Molecular Weight 120.535 g/mol
SMILES OC(CC(=C)Cl)=O
SPLASH splash10-0udi-0900000000-1d32760739405f3c4433
Source of Spectrum J-63-4523-2
Wiley ID 1126985