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Benzoic acid, 3,4,5-tribromo-2,6-dimethyl-
SpectraBase Compound ID IthPaLnXl6t
InChI InChI=1S/C9H7Br3O2/c1-3-5(9(13)14)4(2)7(11)8(12)6(3)10/h1-2H3,(H,13,14)
InChIKey UTIHHHYCBOMAEC-UHFFFAOYSA-N
Mol Weight 386.87 g/mol
Molecular Formula C9H7Br3O2
Exact Mass 383.799618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Gl3w0juMR
Name Benzoic acid, 3,4,5-tribromo-2,6-dimethyl-
CAS Registry Number 63197-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7Br3O2
InChI InChI=1S/C9H7Br3O2/c1-3-5(9(13)14)4(2)7(11)8(12)6(3)10/h1-2H3,(H,13,14)
InChIKey UTIHHHYCBOMAEC-UHFFFAOYSA-N
Molecular Weight 386.865 g/mol
SMILES OC(c1c(c(Br)c(c(c1C)Br)Br)C)=O
SPLASH splash10-00di-0009000000-ecc632176c8d908a7b67
Source of Spectrum B-30-302-0
Synonyms 3,4,5-Tribromo-2,6-dimethylbenzoic acid 3,4,5-tris(bromanyl)-2,6-dimethyl-benzoic acid
Wiley ID 1361220