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1H-indazole, 4-[(2-methylpropyl)thio]-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-
SpectraBase Compound ID 79szuK4J7zA
InChI InChI=1S/C20H21N3O3S2/c1-13(2)12-28-17-11-15(23(24)25)10-16-18(17)19(20-26-8-9-27-20)21-22(16)14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9,12H2,1-2H3
InChIKey XZLUTCOCFALZAS-UHFFFAOYSA-N
Mol Weight 415.53 g/mol
Molecular Formula C20H21N3O3S2
Exact Mass 415.102434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID h19xvIkEDw
Name 4-(2-Methylpropylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O3S2
InChI InChI=1S/C20H21N3O3S2/c1-13(2)12-28-17-11-15(23(24)25)10-16-18(17)19(20-26-8-9-27-20)21-22(16)14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9,12H2,1-2H3
InChIKey XZLUTCOCFALZAS-UHFFFAOYSA-N
Molecular Weight 415.526 g/mol
SMILES c1(n[n](-c2ccccc2)c2c1c(cc(N(=O)=O)c2)SCC(C)C)C1SCCO1
SPLASH splash10-0a4l-9342100000-00f33b405f7aaa5525d8
Synonyms 4-(2-Methylpropylthio)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenylindazole 4-(isobutylthio)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole 4-isobutylsulfanyl-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-indazole
Wiley ID 1464866