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1-Bromoheptane
SpectraBase Compound ID HfuB9OlC70F
InChI InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey LSXKDWGTSHCFPP-UHFFFAOYSA-N
Mol Weight 179.1 g/mol
Molecular Formula C7H15Br
Exact Mass 178.035713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FyXtjO5pY
Name 1-Bromoheptane
CAS Registry Number 629-04-9
Classification Alkylating agent
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 178.035713483 u
Formula C7H15Br
InChI InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey LSXKDWGTSHCFPP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 179.101 g/mol
Nominal Mass 178 u
Quality 959
Retention Index 1071
SMILES C(CCCBr)CCC
SPLASH splash10-052u-9500000000-c649e04050b424103fa5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Heptyl bromide n-Heptyl bromide
Technique GC/MS
Wiley ID DD2024_011646