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Benzylbromide
SpectraBase Compound ID BJqhuS9GHLk
InChI InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey AGEZXYOZHKGVCM-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 JEesvDCGwkK
Name Benzyl bromide
CAS Registry Number 100-39-0
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two 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/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey AGEZXYOZHKGVCM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 171.037 g/mol
Nominal Mass 170 u
Quality 974
Retention Index 1094
SMILES C1(=CC=CC=C1)CBr
SPLASH splash10-0006-9000000000-01749aa3af03a56b31e0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms bromomethylbenzene
Technique GC/MS
Wiley ID DD2024_008132