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3-Bromotoluene
SpectraBase Compound ID CgX79QvvXMM
InChI InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey WJIFKOVZNJTSGO-UHFFFAOYSA-N
Mol Weight 171.04 g/mol
Molecular Formula C7H7Br
Exact Mass 169.973113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErGlgBBUZ46
Name Benzene, 1-bromo-3-methyl-
CAS Registry Number 591-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7Br
InChI InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey WJIFKOVZNJTSGO-UHFFFAOYSA-N
Molecular Weight 171.037 g/mol
SMILES c1cc(C)cc(Br)c1
SPLASH splash10-00dl-9500000000-037adde06ce78ec7c227
Synonyms 1-Bromanyl-3-methyl-benzene 1-Bromo-3-methyl-benzene 3-Bromo-1-methylbenzene 3-Bromotoluene 3-Methyl-1-bromobenzene 3-Methylbromobenzene 5-Bromotoluene m-Bromotoluene m-Methylbromobenzene m-Tolyl bromide Toluene, 3-bromo- Toluene, m-bromo- BRN 1903633 CCRIS 5981 EINECS 209-702-3 HSDB 6014
Wiley ID 1501775