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4-Bromotoluene
SpectraBase Compound ID LDM4ZPwAazk
InChI InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey ZBTMRBYMKUEVEU-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 8KGuL1SAnmC
Name Benzene,1-bromo-4-methyl
CAS Registry Number 106-38-7
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 169.973113225 u
Formula C7H7Br
InChI InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey ZBTMRBYMKUEVEU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 171.037 g/mol
Nominal Mass 170 u
Quality 999
Retention Index 1242
SMILES C1(=CC=C(C=C1)C)Br
SPLASH splash10-0006-9200000000-057a3e6d6e268526aae3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-bromo-4-methylbenzene
Technique GC/MS
Wiley ID DD2024_032987