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(S*,S*)-(+/-)-6-Amino-3,4-dihydro-3,5-dinitro-4-phenyl-2-piperidinopyridine
SpectraBase Compound ID BZ2xutjDerN
InChI InChI=1S/C16H19N5O4/c17-15-13(20(22)23)12(11-7-3-1-4-8-11)14(21(24)25)16(18-15)19-9-5-2-6-10-19/h1,3-4,7-8,12,14H,2,5-6,9-10,17H2/t12-,14+/m1/s1
InChIKey QOMKAMWRVNENNJ-OCCSQVGLSA-N
Mol Weight 345.36 g/mol
Molecular Formula C16H19N5O4
Exact Mass 345.143704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6URMFaHPG9G
Name (S*,S*)-(+/-)-6-Amino-3,4-dihydro-3,5-dinitro-4-phenyl-2-piperidinopyridine
Alternate Name(s) (4S,5S)-3,5-dinitro-4-phenyl-6-(piperidin-1-yl)-4,5-dihydropyridin-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N5O4
InChI InChI=1S/C16H19N5O4/c17-15-13(20(22)23)12(11-7-3-1-4-8-11)14(21(24)25)16(18-15)19-9-5-2-6-10-19/h1,3-4,7-8,12,14H,2,5-6,9-10,17H2/t12-,14+/m1/s1
InChIKey QOMKAMWRVNENNJ-OCCSQVGLSA-N
Literature Reference DOI 10.1002/ardp.19933260103
Molecular Weight 345.359 g/mol
SMILES NC1=C([C@]([C@@](C(=N1)N1CCCCC1)([N+](=O)[O-])[H])(c1ccccc1)[H])[N+](=O)[O-]
SPLASH splash10-0002-1292000000-875ad3d104d565936ff4
Source of Spectrum APC-326-3-5dB
Wiley ID 1799096