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Ethyl 2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methyl-ene]hydrazono}-4-phenylthiazol-3(2H)-yl)acetate
SpectraBase Compound ID Kh53SneoqwS
InChI InChI=1S/C35H29N5O2S/c1-2-42-33(41)24-39-32(28-14-8-4-9-15-28)25-43-35(39)37-36-22-30-23-40(31-16-10-5-11-17-31)38-34(30)29-20-18-27(19-21-29)26-12-6-3-7-13-26/h3-23,25H,2,24H2,1H3/b36-22+,37-35+
InChIKey NZMUCCBPJLYJEZ-GBHAOBNJSA-N
Mol Weight 583.7 g/mol
Molecular Formula C35H29N5O2S
Exact Mass 583.204196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzYkrz5WdpQ
Name Ethyl 2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methyl-ene]hydrazono}-4-phenylthiazol-3(2H)-yl)acetate
Alternate Name(s) 2-[(2E)-4-phenyl-2-[(E)-[1-phenyl-3-(4-phenylphenyl)-4-pyrazolyl]methylidenehydrazinylidene]-3-thiazolyl]acetic acid ethyl ester ethyl 2-[(2E)-4-phenyl-2-[(E)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazol-3-yl]acetate ethyl 2-[(2E)-4-phenyl-2-[(E)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylenehydrazono]thiazol-3-yl]acetate ethyl 2-[(2E)-4-phenyl-2-[(E)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazol-3-yl]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C35H29N5O2S
InChI InChI=1S/C35H29N5O2S/c1-2-42-33(41)24-39-32(28-14-8-4-9-15-28)25-43-35(39)37-36-22-30-23-40(31-16-10-5-11-17-31)38-34(30)29-20-18-27(19-21-29)26-12-6-3-7-13-26/h3-23,25H,2,24H2,1H3/b36-22+,37-35+
InChIKey NZMUCCBPJLYJEZ-GBHAOBNJSA-N
Molecular Weight 583.710 g/mol
SMILES c1[n](nc(c1\C=N\N=C/1N(C(c2ccccc2)=CS1)CC(=O)OCC)-c1ccc(cc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-001i-0000090000-ec2f22f88113ddc17798
Source of Spectrum Y-49-97-5
Wiley ID 1706440