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5-[p-(N,N-Dimethylamino)phenyl]-8-(m-nitrophenyl)-1,2,7-triaza-4-thiabicyclo[3.3.0]octa-2,8(1)-diene
SpectraBase Compound ID 8lEUuKNYljD
InChI InChI=1S/C17H16N6O2S/c1-21(2)13-8-6-11(7-9-13)16-20-22-15(18-19-17(22)26-16)12-4-3-5-14(10-12)23(24)25/h3-10,16,20H,1-2H3
InChIKey WNZMCGOFONPLBG-UHFFFAOYSA-N
Mol Weight 368.42 g/mol
Molecular Formula C17H16N6O2S
Exact Mass 368.105545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AhMTbmTlVo
Name 5-[p-(N,N-Dimethylamino)phenyl]-8-(m-nitrophenyl)-1,2,7-triaza-4-thiabicyclo[3.3.0]octa-2,8(1)-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N6O2S
InChI InChI=1S/C17H16N6O2S/c1-21(2)13-8-6-11(7-9-13)16-20-22-15(18-19-17(22)26-16)12-4-3-5-14(10-12)23(24)25/h3-10,16,20H,1-2H3
InChIKey WNZMCGOFONPLBG-UHFFFAOYSA-N
Molecular Weight 368.415 g/mol
SMILES N1C(Sc2[n]1c(nn2)-c1cc([N+]([O-])=O)ccc1)c1ccc(cc1)N(C)C
SPLASH splash10-0006-1190000000-ca4bf4577677fae18d24
Source of Spectrum SK-28-3980-2j
Wiley ID 880263