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4-(cyclohexylsulfanyl)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazole
SpectraBase Compound ID DCx8MRuy30Q
InChI InChI=1S/C22H23N3O4S/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/h1,3-4,7-8,13-14,17,22H,2,5-6,9-12H2
InChIKey XKBUFTNAFINIPS-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C22H23N3O4S
Exact Mass 425.140927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0eFgYyHNNQ
Name 4-(cyclohexylsulfanyl)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O4S
InChI InChI=1S/C22H23N3O4S/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/h1,3-4,7-8,13-14,17,22H,2,5-6,9-12H2
InChIKey XKBUFTNAFINIPS-UHFFFAOYSA-N
Molecular Weight 425.503 g/mol
SMILES c1(n[n](-c2ccccc2)c2c1c(cc(N(=O)=O)c2)SC1CCCCC1)C1OCCO1
SPLASH splash10-052g-9343100000-85b7973a23aa29507d68
Synonyms 4-(cyclohexylthio)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazole 4-cyclohexylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-indazole 4-(cyclohexylthio)-3-(1,3-dioxolan-2-yl)-6-nitro-1-phenylindazole
Wiley ID 1464868