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5-(1-(Chloro(phenyl)methyleneamino)-2-(1,3-diphenyl-1H-pyrazole-4-yl)vinyl)-2-phenylamino-1,3,4-thiadiazole
SpectraBase Compound ID 8vP2OeBI7hB
InChI InChI=1S/C32H23ClN6S/c33-30(24-15-7-2-8-16-24)35-28(31-36-37-32(40-31)34-26-17-9-3-10-18-26)21-25-22-39(27-19-11-4-12-20-27)38-29(25)23-13-5-1-6-14-23/h1-22H,(H,34,37)
InChIKey VVBGAYUCMJCPDX-UHFFFAOYSA-N
Mol Weight 559.1 g/mol
Molecular Formula C32H23ClN6S
Exact Mass 558.139344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WBhmwab1yX
Name 5-(1-(Chloro(phenyl)methyleneamino)-2-(1,3-diphenyl-1H-pyrazole-4-yl)vinyl)-2-phenylamino-1,3,4-thiadiazole
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H23ClN6S
InChI InChI=1S/C32H23ClN6S/c33-30(24-15-7-2-8-16-24)35-28(31-36-37-32(40-31)34-26-17-9-3-10-18-26)21-25-22-39(27-19-11-4-12-20-27)38-29(25)23-13-5-1-6-14-23/h1-22H,(H,34,37)
InChIKey VVBGAYUCMJCPDX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2719
Molecular Weight 559.091 g/mol
SMILES N(c1nnc(s1)C(N=C(c1ccccc1)Cl)=Cc1c[n](nc1-c1ccccc1)-c1ccccc1)c1ccccc1
SPLASH splash10-06rt-0496510000-80d32ae40e10c0f44553
Source of Spectrum Y-54-1394-8
Wiley ID 1878201