![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/BRvo556IMHi/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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRvo556IMHi |
|---|---|
| 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 | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 701.242038424 u |
| 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 |
| SMILES | C=1N(N=C(C1\C=N\N=C/1N(C(C2=CC=CC=C2)=CS1)CC(N\N=C\[C@@]([C@@]([C@](O)(CO)[H])(O)[H])(O)[H])=O)C1=CC=C(C=C1)C1=CC=CC=C1)C=1C=CC=CC1 |