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1H-indazole, 3-(1,3-dioxolan-2-yl)-4-[(2-methylpropyl)thio]-6-nitro-1-phenyl-
SpectraBase Compound ID 2r98uQFVczR
InChI InChI=1S/C20H21N3O4S/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 UMUNTHXWAXUQCB-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C20H21N3O4S
Exact Mass 399.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Dz0sdZqTER
Name 3-(1,3-dioxolan-2-yl)-4-(2-methylpropylsulfanyl)-6-nitro-1-phenyl-indazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O4S
InChI InChI=1S/C20H21N3O4S/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 UMUNTHXWAXUQCB-UHFFFAOYSA-N
Molecular Weight 399.465 g/mol
SMILES c1(n[n](-c2ccccc2)c2c1c(cc(N(=O)=O)c2)SCC(C)C)C1OCCO1
SPLASH splash10-0007-9455000000-401c82e533455e65bb15
Synonyms 3-(1,3-dioxolan-2-yl)-4-(2-methylpropylthio)-6-nitro-1-phenylindazole 3-(1,3-dioxolan-2-yl)-4-(isobutylthio)-6-nitro-1-phenyl-indazole 3-(1,3-dioxolan-2-yl)-4-isobutylsulfanyl-6-nitro-1-phenyl-indazole
Wiley ID 1464871