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8-(p-Nitrophenyl)-5-(4'-methoxyphenyl)-1,2,7-triaza-4-thiabicyclo[3.3.0]octa-2,8(1)-diene
SpectraBase Compound ID F5rsMAGg4bs
InChI InChI=1S/C16H13N5O3S/c1-24-13-8-4-11(5-9-13)15-19-20-14(17-18-16(20)25-15)10-2-6-12(7-3-10)21(22)23/h2-9,15,19H,1H3
InChIKey CTXHYNXCVZOQGD-UHFFFAOYSA-N
Mol Weight 355.37 g/mol
Molecular Formula C16H13N5O3S
Exact Mass 355.07391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FU6yjiNItsX
Name 8-(p-Nitrophenyl)-5-(4'-methoxyphenyl)-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 C16H13N5O3S
InChI InChI=1S/C16H13N5O3S/c1-24-13-8-4-11(5-9-13)15-19-20-14(17-18-16(20)25-15)10-2-6-12(7-3-10)21(22)23/h2-9,15,19H,1H3
InChIKey CTXHYNXCVZOQGD-UHFFFAOYSA-N
Molecular Weight 355.372 g/mol
SMILES N1C(Sc2[n]1c(nn2)-c1ccc([N+]([O-])=O)cc1)c1ccc(cc1)OC
SPLASH splash10-001i-0902000000-7c238ea9fefed7027261
Source of Spectrum SK-28-3978-2a
Wiley ID 880270