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2,3,4,5-Tetra-O-acetyl-D-xylose-2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methylene)-hydrazono]-4-phenylthiazol-3(2H)-yl}acetohydrazone

View entire compound with spectra: 1 MS (GC)

2,3,4,5-Tetra-O-acetyl-D-xylose-2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methylene)-hydrazono]-4-phenylthiazol-3(2H)-yl}acetohydrazone
SpectraBase Compound ID ilTD3WCb2s
InChI InChI=1S/C46H43N7O9S/c1-30(54)59-28-42(61-32(3)56)45(62-33(4)57)41(60-31(2)55)25-48-49-43(58)27-52-40(36-16-10-6-11-17-36)29-63-46(52)50-47-24-38-26-53(39-18-12-7-13-19-39)51-44(38)37-22-20-35(21-23-37)34-14-8-5-9-15-34/h5-26,29,41-42,45H,27-28H2,1-4H3,(H,49,58)/b47-24+,48-25+,50-46+/t41-,42-,45+/m0/s1
InChIKey LZYFKKNGHQTTGY-CERVKBQVSA-N
Mol Weight 870.0 g/mol
Molecular Formula C46H43N7O9S
Exact Mass 869.284297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTaVdYtHmnd
Name 2,3,4,5-Tetra-O-acetyl-D-xylose-2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methylene)-hydrazono]-4-phenylthiazol-3(2H)-yl}acetohydrazone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H43N7O9S
InChI InChI=1S/C46H43N7O9S/c1-30(54)59-28-42(61-32(3)56)45(62-33(4)57)41(60-31(2)55)25-48-49-43(58)27-52-40(36-16-10-6-11-17-36)29-63-46(52)50-47-24-38-26-53(39-18-12-7-13-19-39)51-44(38)37-22-20-35(21-23-37)34-14-8-5-9-15-34/h5-26,29,41-42,45H,27-28H2,1-4H3,(H,49,58)/b47-24+,48-25+,50-46+/t41-,42-,45+/m0/s1
InChIKey LZYFKKNGHQTTGY-CERVKBQVSA-N
Molecular Weight 869.950 g/mol
SMILES N(\N=C\[C@@]([C@]([C@@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])C(CN1\C(=N/N=C/c2c(n[n](c2)-c2ccccc2)-c2ccc(cc2)-c2ccccc2)SC=C1c1ccccc1)=O
SPLASH splash10-01b9-0000000090-f987d9773846c318e5b4
Source of Spectrum Y-49-99-18
Wiley ID 1706428