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6-Amino-3,4-dihydro-3,5-dinitro-4-phenyl-2-(hexahydroazepino)pyridine
SpectraBase Compound ID G3pab7LNrI7
InChI InChI=1S/C17H21N5O4/c18-16-14(21(23)24)13(12-8-4-3-5-9-12)15(22(25)26)17(19-16)20-10-6-1-2-7-11-20/h3-5,8-9,13,15H,1-2,6-7,10-11,18H2/t13-,15+/m1/s1
InChIKey XVPHNVDPEQTNGY-HIFRSBDPSA-N
Mol Weight 359.39 g/mol
Molecular Formula C17H21N5O4
Exact Mass 359.159354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GS55hDh4J9t
Name 6-Amino-3,4-dihydro-3,5-dinitro-4-phenyl-2-(hexahydroazepino)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N5O4
InChI InChI=1S/C17H21N5O4/c18-16-14(21(23)24)13(12-8-4-3-5-9-12)15(22(25)26)17(19-16)20-10-6-1-2-7-11-20/h3-5,8-9,13,15H,1-2,6-7,10-11,18H2/t13-,15+/m1/s1
InChIKey XVPHNVDPEQTNGY-HIFRSBDPSA-N
Molecular Weight 359.386 g/mol
SMILES NC=1N=C([C@]([C@@](C1N(=O)=O)(c1ccccc1)[H])(N(=O)=O)[H])N1CCCCCC1
SPLASH splash10-0900-1297000000-ff95aa209078a03f3f88
Source of Spectrum D8-326-3-5
Wiley ID 1514709