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2-{2-[[[3-(Biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methylene]-hydrazono]-4-phenylthiazol-3(2H)-yl}-N'-(3,4,5-trimethoxybenzyl-idene)acetohydrazide
SpectraBase Compound ID FV8khaDxLU7
InChI InChI=1S/C43H37N7O4S/c1-52-38-23-30(24-39(53-2)42(38)54-3)25-44-46-40(51)28-49-37(33-15-9-5-10-16-33)29-55-43(49)47-45-26-35-27-50(36-17-11-6-12-18-36)48-41(35)34-21-19-32(20-22-34)31-13-7-4-8-14-31/h4-27,29H,28H2,1-3H3,(H,46,51)/b44-25+,45-26+,47-43+
InChIKey AAFRVJNLKDTPIM-VCKRFHMGSA-N
Mol Weight 747.9 g/mol
Molecular Formula C43H37N7O4S
Exact Mass 747.262774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iCJ9PD0ndP
Name 2-{2-[[[3-(Biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methylene]-hydrazono]-4-phenylthiazol-3(2H)-yl}-N'-(3,4,5-trimethoxybenzyl-idene)acetohydrazide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H37N7O4S
InChI InChI=1S/C43H37N7O4S/c1-52-38-23-30(24-39(53-2)42(38)54-3)25-44-46-40(51)28-49-37(33-15-9-5-10-16-33)29-55-43(49)47-45-26-35-27-50(36-17-11-6-12-18-36)48-41(35)34-21-19-32(20-22-34)31-13-7-4-8-14-31/h4-27,29H,28H2,1-3H3,(H,46,51)/b44-25+,45-26+,47-43+
InChIKey AAFRVJNLKDTPIM-VCKRFHMGSA-N
Molecular Weight 747.874 g/mol
SMILES N(\N=C\c1cc(OC)c(c(c1)OC)OC)C(CN1\C(=N/N=C/c2c(n[n](c2)-c2ccccc2)-c2ccc(cc2)-c2ccccc2)SC=C1c1ccccc1)=O
SPLASH splash10-0002-0000000900-4aa186b033ce898ffb54
Source of Spectrum Y-49-99-12
Wiley ID 1706433