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6-Nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-4-(phenylsulfanyl)-1H-indazole
SpectraBase Compound ID BmDo0I4v0Tu
InChI InChI=1S/C22H17N3O3S2/c26-25(27)16-13-18-20(19(14-16)30-17-9-5-2-6-10-17)21(22-28-11-12-29-22)23-24(18)15-7-3-1-4-8-15/h1-10,13-14,22H,11-12H2
InChIKey OTSDGXKBCHWEIZ-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C22H17N3O3S2
Exact Mass 435.071134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuoSpC4Szdl
Name 6-Nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-4-(phenylsulfanyl)-1H-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3O3S2
InChI InChI=1S/C22H17N3O3S2/c26-25(27)16-13-18-20(19(14-16)30-17-9-5-2-6-10-17)21(22-28-11-12-29-22)23-24(18)15-7-3-1-4-8-15/h1-10,13-14,22H,11-12H2
InChIKey OTSDGXKBCHWEIZ-UHFFFAOYSA-N
Molecular Weight 435.516 g/mol
SMILES c1(n[n](-c2ccccc2)c2c1c(cc(N(=O)=O)c2)Sc1ccccc1)C1SCCO1
SPLASH splash10-004r-6943100000-d5923164cd6450661363
Synonyms 6-Nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-4-(phenylthio)indazole 6-Nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-4-phenylsulfanyl-indazole
Wiley ID 1464168