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1-(2-Benzamido-3-(1,3-diphenyl-1H-pyrazole-4-yl)acryloyl)- 4-phenylthiosemicarbazide
SpectraBase Compound ID IIvUUcRUc6b
InChI InChI=1S/C32H26N6O2S/c39-30(24-15-7-2-8-16-24)34-28(31(40)35-36-32(41)33-26-17-9-3-10-18-26)21-25-22-38(27-19-11-4-12-20-27)37-29(25)23-13-5-1-6-14-23/h1-22H,(H,34,39)(H,35,40)(H2,33,36,41)
InChIKey POPPCDNQELPSPX-UHFFFAOYSA-N
Mol Weight 558.7 g/mol
Molecular Formula C32H26N6O2S
Exact Mass 558.183795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zmEcpxZUaf
Name 1-(2-Benzamido-3-(1,3-diphenyl-1H-pyrazole-4-yl)acryloyl)- 4-phenylthiosemicarbazide
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26N6O2S
InChI InChI=1S/C32H26N6O2S/c39-30(24-15-7-2-8-16-24)34-28(31(40)35-36-32(41)33-26-17-9-3-10-18-26)21-25-22-38(27-19-11-4-12-20-27)37-29(25)23-13-5-1-6-14-23/h1-22H,(H,34,39)(H,35,40)(H2,33,36,41)
InChIKey POPPCDNQELPSPX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2719
Molecular Weight 558.660 g/mol
SMILES N(C(c1ccccc1)=O)C(C(=O)NNC(=S)Nc1ccccc1)=Cc1c(n[n](c1)-c1ccccc1)-c1ccccc1
SPLASH splash10-014i-9813000000-0eb03bd999184798d457
Source of Spectrum Y-54-1394-3b
Wiley ID 1878198