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N1-[2-(4-chlorophenyl)-4-oxothiazolidin-3-yl]-N3-(2-(1,3-diphenyl-1H-pyrazol-4-yl)-4-oxothiazolidin-3-yl)malonamide
SpectraBase Compound ID LgsZrQMLea1
InChI InChI=1S/C30H25ClN6O4S2/c31-21-13-11-20(12-14-21)29-36(26(40)17-42-29)32-24(38)15-25(39)33-37-27(41)18-43-30(37)23-16-35(22-9-5-2-6-10-22)34-28(23)19-7-3-1-4-8-19/h1-14,16,29-30H,15,17-18H2,(H,32,38)(H,33,39)
InChIKey PVERWXDULHEOAD-UHFFFAOYSA-N
Mol Weight 633.14 g/mol
Molecular Formula C30H25ClN6O4S2
Exact Mass 632.106723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63qO43oM8fw
Name N1-[2-(4-chlorophenyl)-4-oxothiazolidin-3-yl]-N3-(2-(1,3-diphenyl-1H-pyrazol-4-yl)-4-oxothiazolidin-3-yl)malonamide
Appearance Pale yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H25ClN6O4S2
InChI InChI=1S/C30H25ClN6O4S2/c31-21-13-11-20(12-14-21)29-36(26(40)17-42-29)32-24(38)15-25(39)33-37-27(41)18-43-30(37)23-16-35(22-9-5-2-6-10-22)34-28(23)19-7-3-1-4-8-19/h1-14,16,29-30H,15,17-18H2,(H,32,38)(H,33,39)
InChIKey PVERWXDULHEOAD-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3048
Molecular Weight 633.141 g/mol
SMILES N(N1C(CSC1c1c(n[n](c1)-c1ccccc1)-c1ccccc1)=O)C(CC(NN1C(CSC1c1ccc(cc1)Cl)=O)=O)=O
SPLASH splash10-0560-8970401000-73d75e8b208780d14037
Source of Spectrum Y-55-295-14
Wiley ID 1878785