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Benzoic acid, 2,3,5,6-tetrabromo-4-methyl-
SpectraBase Compound ID InDChKacwMG
InChI InChI=1S/C8H4Br4O2/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h1H3,(H,13,14)
InChIKey UERMKQMUWALCIO-UHFFFAOYSA-N
Mol Weight 451.73 g/mol
Molecular Formula C8H4Br4O2
Exact Mass 447.694481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGPNcvIdVVO
Name Benzoic acid, 2,3,5,6-tetrabromo-4-methyl-
Alternate Name(s) 2,3,5,6-tetrabromo-4-methyl-benzoic acid 2,3,5,6-tetrakis(bromanyl)-4-methyl-benzoic acid
CAS Registry Number 63165-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4Br4O2
InChI InChI=1S/C8H4Br4O2/c1-2-4(9)6(11)3(8(13)14)7(12)5(2)10/h1H3,(H,13,14)
InChIKey UERMKQMUWALCIO-UHFFFAOYSA-N
Molecular Weight 451.734 g/mol
SMILES OC(c1c(c(Br)c(c(c1Br)Br)C)Br)=O
SPLASH splash10-000i-0000900000-b35206eb1044bf1d170c
Source of Spectrum B-30-301-0
Wiley ID 1387009