![D-Xylose 2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methyl-ene)hydrazono]-4-phenylthiazol-3(2H)-yl}acetohydrazone](/api/spectrum/AdGD4jr32y6/structure.png?h=300&w=458 "D-Xylose 2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methyl-ene)hydrazono]-4-phenylthiazol-3(2H)-yl}acetohydrazone")
| SpectraBase Compound ID | 2GT4i1GS4li |
|---|---|
| InChI | InChI=1S/C38H35N7O5S/c46-24-34(48)37(50)33(47)21-40-41-35(49)23-44-32(28-12-6-2-7-13-28)25-51-38(44)42-39-20-30-22-45(31-14-8-3-9-15-31)43-36(30)29-18-16-27(17-19-29)26-10-4-1-5-11-26/h1-22,25,33-34,37,46-48,50H,23-24H2,(H,41,49)/b39-20+,40-21+,42-38+/t33-,34+,37-/m0/s1 |
| InChIKey | OKYNLLVUBPRBBQ-QLUQCDRHSA-N |
| Mol Weight | 701.8 g/mol |
| Molecular Formula | C38H35N7O5S |
| Exact Mass | 701.242038 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AdGD4jr32y6 |
|---|---|
| Name | D-Xylose 2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methyl-ene)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 | C38H35N7O5S |
| InChI | InChI=1S/C38H35N7O5S/c46-24-34(48)37(50)33(47)21-40-41-35(49)23-44-32(28-12-6-2-7-13-28)25-51-38(44)42-39-20-30-22-45(31-14-8-3-9-15-31)43-36(30)29-18-16-27(17-19-29)26-10-4-1-5-11-26/h1-22,25,33-34,37,46-48,50H,23-24H2,(H,41,49)/b39-20+,40-21+,42-38+/t33-,34+,37-/m0/s1 |
| InChIKey | OKYNLLVUBPRBBQ-QLUQCDRHSA-N |
| Molecular Weight | 701.802 g/mol |
| SMILES | N(\N=C\[C@@]([C@@]([C@](O)(CO)[H])(O)[H])(O)[H])C(CN1\C(=N/N=C/c2c(n[n](c2)-c2ccccc2)-c2ccc(cc2)-c2ccccc2)SC=C1c1ccccc1)=O |
| SPLASH | splash10-0udi-0000000900-1de24de85c5302dc1a57 |
| Source of Spectrum | Y-49-99-15 |
| Wiley ID | 1706430 |