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Benzoic acid, 3-bromo-2-(cyanomethyl)-5,6-dimethoxy-
SpectraBase Compound ID 9xesxjpTgTD
InChI InChI=1S/C11H10BrNO4/c1-16-8-5-7(12)6(3-4-13)9(11(14)15)10(8)17-2/h5H,3H2,1-2H3,(H,14,15)
InChIKey SFADZYQROXENJE-UHFFFAOYSA-N
Mol Weight 300.11 g/mol
Molecular Formula C11H10BrNO4
Exact Mass 298.979321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Doj1xLfkG
Name Benzoic acid, 3-bromo-2-(cyanomethyl)-5,6-dimethoxy-
CAS Registry Number 69355-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10BrNO4
InChI InChI=1S/C11H10BrNO4/c1-16-8-5-7(12)6(3-4-13)9(11(14)15)10(8)17-2/h5H,3H2,1-2H3,(H,14,15)
InChIKey SFADZYQROXENJE-UHFFFAOYSA-N
Molecular Weight 300.108 g/mol
SMILES OC(c1c(c(OC)cc(c1CC#N)Br)OC)=O
SPLASH splash10-001i-0091000000-beebaee7ad46581ad0a4
Source of Spectrum F-34-1438-0
Synonyms 2-Carboxy-3,4-dimethoxy-6-bromophenylacetonitrile 3-Bromo-2-(cyanomethyl)-5,6-dimethoxybenzoic acid
Wiley ID 1301714