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5,6-Dichloro-3-(4-methoxyphenyl)-4,7-dioxo-N-phenyl-4,7-dihydro-1H-indazole-1-carbothioamide
SpectraBase Compound ID 6aoo2Fsh1Pk
InChI InChI=1S/C21H13Cl2N3O3S/c1-29-13-9-7-11(8-10-13)17-14-18(20(28)16(23)15(22)19(14)27)26(25-17)21(30)24-12-5-3-2-4-6-12/h2-10H,1H3,(H,24,30)
InChIKey KRJLCDXZKMESLJ-UHFFFAOYSA-N
Mol Weight 458.32 g/mol
Molecular Formula C21H13Cl2N3O3S
Exact Mass 457.005468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6w2Wsc8BhDO
Name 5,6-Dichloro-3-(4-methoxyphenyl)-4,7-dioxo-N-phenyl-4,7-dihydro-1H-indazole-1-carbothioamide
Appearance Reddish brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13Cl2N3O3S
InChI InChI=1S/C21H13Cl2N3O3S/c1-29-13-9-7-11(8-10-13)17-14-18(20(28)16(23)15(22)19(14)27)26(25-17)21(30)24-12-5-3-2-4-6-12/h2-10H,1H3,(H,24,30)
InChIKey KRJLCDXZKMESLJ-UHFFFAOYSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.f26
Molecular Weight 458.319 g/mol
SMILES N(C([n]1c2C(C(=C(C(c2c(n1)-c1ccc(cc1)OC)=O)Cl)Cl)=O)=S)c1ccccc1
SPLASH splash10-0fcc-9810200000-77cc644282e8bf05b7f1
Source of Spectrum ARK-2007-274-11c
Wiley ID 1868955