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5-Bromovanillin
SpectraBase Compound ID 79vIaYUga2r
InChI InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey KLSHZDPXXKAHIJ-UHFFFAOYSA-N
Mol Weight 231.04 g/mol
Molecular Formula C8H7BrO3
Exact Mass 229.957857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGd12fuRuYo
Name Benzaldehyde, 3-bromo-4-hydroxy-5-methoxy-
CAS Registry Number 2973-76-4
Comments Less than 3 mono-isotopic peaks
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Formula C8H7BrO3
InChI InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey KLSHZDPXXKAHIJ-UHFFFAOYSA-N
Molecular Weight 231.045 g/mol
SMILES Oc1c(OC)cc(C=O)cc1Br
SPLASH splash10-001i-0090000000-3fd27e53f0509136894d
Source of Spectrum J-67-6781-5
Synonyms 3-Bromo-4-hydroxy-5-methoxybenzaldehyde 3-bromanyl-5-methoxy-4-oxidanyl-benzaldehyde 3-bromo-4-hydroxy-5-methoxy-benzaldehyde 5-Bromo-4-hydroxy-3-methoxybenzaldehyde 5-Bromovanillin Vanillin, 5-bromo- EINECS 221-016-6 NSC 10073 NSC 29037
Wiley ID 1570919