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1-(2-nitrophenyl)piperidine-4-carbonitrile
SpectraBase Compound ID BfKBMEuPrcC
InChI InChI=1S/C12H13N3O2/c13-9-10-5-7-14(8-6-10)11-3-1-2-4-12(11)15(16)17/h1-4,10H,5-8H2
InChIKey ORSBDZWTPAHIRG-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VpY9OjRIpE
Name 1-(2-nitrophenyl)piperidine-4-carbonitrile
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2
InChI InChI=1S/C12H13N3O2/c13-9-10-5-7-14(8-6-10)11-3-1-2-4-12(11)15(16)17/h1-4,10H,5-8H2
InChIKey ORSBDZWTPAHIRG-UHFFFAOYSA-N
Instrument Name Varian GCMS Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812068
Molecular Weight 231.255 g/mol
Reported Formula C12H14N3O2
SMILES c1c(c(ccc1)N1CCC(CC1)C#N)[N+]([O-])=O
SPLASH splash10-03ec-2890000000-a204f456e051c28b994c
Source of Spectrum ACI-58-SM16-3ad
Wiley ID 1840431