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4-Bromobutyric acid
SpectraBase Compound ID 71FeIzW3Z55
InChI InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey GRHQDJDRGZFIPO-UHFFFAOYSA-N
Mol Weight 167.0 g/mol
Molecular Formula C4H7BrO2
Exact Mass 165.962942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITjwqJUlVRA
Name Butanoic acid, 4-bromo-
CAS Registry Number 2623-87-2
Comments Less than 3 mono-isotopic peaks
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Formula C4H7BrO2
InChI InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey GRHQDJDRGZFIPO-UHFFFAOYSA-N
Molecular Weight 167.002 g/mol
SMILES OC(CCCBr)=O
SPLASH splash10-0006-9000000000-e9bac150b720cb8c3ab2
Source of Spectrum K-110-3550-0
Synonyms .gamma.-Bromobutyric acid 4-bromanylbutanoic acid 4-Bromo-n-butyric acid 4-Bromobutanoic acid 4-Bromobutyrate 4-Bromobutyric acid Butyric acid, 4-bromo- Carboxypropyl bromide gamma-Bromobutyric acid EINECS 220-083-9 NSC 99322
Wiley ID 1161800