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1-(3-Bromobenzyl)piperidine
SpectraBase Compound ID HuTKnocGuDq
InChI InChI=1S/C12H16BrN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
InChIKey HQVJFZUPPAXRCS-UHFFFAOYSA-N
Mol Weight 254.17 g/mol
Molecular Formula C12H16BrN
Exact Mass 253.046613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iZb07cYIS
Name 1-(3-Bromobenzyl)piperidine
CAS Registry Number 59507-40-3
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 253.046612519 u
Formula C12H16BrN
InChI InChI=1S/C12H16BrN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
InChIKey HQVJFZUPPAXRCS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 254.171 g/mol
Nominal Mass 253 u
Quality 895
Retention Index 1667
SMILES C=1(CN2CCCCC2)C=C(C=CC1)Br
SPLASH splash10-0udi-9470000000-53630314b318fe4a961f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-[(3-Bromophenyl)methyl]piperidine
Technique GC/MS
Wiley ID DD2024_013159