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5-[o-Methoxyphenyl]-8-(m-nitrophenyl)-1,2,7-triaza-4-thiabicyclo[3.3.0]octa-2,8(1)-diene
SpectraBase Compound ID BzpiRBQlxjU
InChI InChI=1S/C16H13N5O3S/c1-24-13-8-3-2-7-12(13)15-19-20-14(17-18-16(20)25-15)10-5-4-6-11(9-10)21(22)23/h2-9,15,19H,1H3
InChIKey SPFYDYGRALQXMG-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 ANNq7Kl2fYI
Name 5-[o-Methoxyphenyl]-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 C16H13N5O3S
InChI InChI=1S/C16H13N5O3S/c1-24-13-8-3-2-7-12(13)15-19-20-14(17-18-16(20)25-15)10-5-4-6-11(9-10)21(22)23/h2-9,15,19H,1H3
InChIKey SPFYDYGRALQXMG-UHFFFAOYSA-N
Molecular Weight 355.372 g/mol
SMILES N1C(Sc2[n]1c(nn2)-c1cc([N+]([O-])=O)ccc1)c1c(OC)cccc1
SPLASH splash10-0006-9500000000-92f1d69fd11d632b67ff
Source of Spectrum SK-28-3980-2k
Wiley ID 880262