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5-Bromo-2-(piperidin-1-yl)benzonitrile
SpectraBase Compound ID 8YiRqiDn4QH
InChI InChI=1S/C12H13BrN2/c13-11-4-5-12(10(8-11)9-14)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKey WOAHPAAQAVSBEO-UHFFFAOYSA-N
Mol Weight 265.15 g/mol
Molecular Formula C12H13BrN2
Exact Mass 264.026211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XN063X0uVA
Name 5-Bromo-2-(piperidin-1-yl)benzonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.026211427 u
Formula C12H13BrN2
InChI InChI=1S/C12H13BrN2/c13-11-4-5-12(10(8-11)9-14)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKey WOAHPAAQAVSBEO-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Molecular Weight 265.154 g/mol
Reported Formula C12H13BrN2
SMILES C=1(C=C(C=CC1N1CCCCC1)Br)C#N
SPLASH splash10-02ai-0290000000-791bbbaac2657a0a76db
Source of Spectrum QE-28-SM87-9b (DOI: 10.1002/chem.202103700)
Wiley ID 1898261