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1-[2-amino-4-(3-methoxyprop-1-ynyl)phenyl]piperidine-4-carbonitrile
SpectraBase Compound ID LAXe4vavwhh
InChI InChI=1S/C16H19N3O/c1-20-10-2-3-13-4-5-16(15(18)11-13)19-8-6-14(12-17)7-9-19/h4-5,11,14H,6-10,18H2,1H3
InChIKey HGQZGKGNFRYCNX-UHFFFAOYSA-N
Mol Weight 269.35 g/mol
Molecular Formula C16H19N3O
Exact Mass 269.152812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASGJzSrbvRo
Name 1-[2-amino-4-(3-methoxyprop-1-ynyl)phenyl]piperidine-4-carbonitrile
Appearance Off white solid
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Formula C16H19N3O
InChI InChI=1S/C16H19N3O/c1-20-10-2-3-13-4-5-16(15(18)11-13)19-8-6-14(12-17)7-9-19/h4-5,11,14H,6-10,18H2,1H3
InChIKey HGQZGKGNFRYCNX-UHFFFAOYSA-N
Instrument Name Varian GCMS Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812068
Molecular Weight 269.348 g/mol
Reported Formula C16H20N3O
SMILES Nc1c(ccc(c1)C#CCOC)N1CCC(CC1)C#N
SPLASH splash10-014r-0390000000-93e40946897f86457d86
Source of Spectrum ACI-58-SM30-7
Wiley ID 1840473