![D-Mannose 2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methyl-ene)hydrazono]-4-phenylthiazol-3(2H)-yl}acetohydrazone](/api/spectrum/CCyHeCmBPfz/structure.png?h=300&w=458 "D-Mannose 2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methyl-ene)hydrazono]-4-phenylthiazol-3(2H)-yl}acetohydrazone")
| SpectraBase Compound ID | 2mIGuCKji3K |
|---|---|
| InChI | InChI=1S/C39H37N7O6S/c47-24-34(49)38(52)37(51)33(48)21-41-42-35(50)23-45-32(28-12-6-2-7-13-28)25-53-39(45)43-40-20-30-22-46(31-14-8-3-9-15-31)44-36(30)29-18-16-27(17-19-29)26-10-4-1-5-11-26/h1-22,25,33-34,37-38,47-49,51-52H,23-24H2,(H,42,50)/b40-20+,41-21+,43-39+/t33-,34-,37-,38-/m1/s1 |
| InChIKey | MYIRAUGJSKFJBN-HDGCEKAHSA-N |
| Mol Weight | 731.8 g/mol |
| Molecular Formula | C39H37N7O6S |
| Exact Mass | 731.252603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CCyHeCmBPfz |
|---|---|
| Name | D-Mannose 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 © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H37N7O6S |
| InChI | InChI=1S/C39H37N7O6S/c47-24-34(49)38(52)37(51)33(48)21-41-42-35(50)23-45-32(28-12-6-2-7-13-28)25-53-39(45)43-40-20-30-22-46(31-14-8-3-9-15-31)44-36(30)29-18-16-27(17-19-29)26-10-4-1-5-11-26/h1-22,25,33-34,37-38,47-49,51-52H,23-24H2,(H,42,50)/b40-20+,41-21+,43-39+/t33-,34-,37-,38-/m1/s1 |
| InChIKey | MYIRAUGJSKFJBN-HDGCEKAHSA-N |
| Molecular Weight | 731.828 g/mol |
| SMILES | N(\N=C\[C@]([C@]([C@@]([C@](O)(CO)[H])(O)[H])(O)[H])(O)[H])C(CN1\C(=N/N=C/c2c(n[n](c2)-c2ccccc2)-c2ccc(cc2)-c2ccccc2)SC=C1c1ccccc1)=O |
| SPLASH | splash10-001i-0000000900-16ed0b5ea7cc19e3fc65 |
| Source of Spectrum | Y-49-99-14 |
| Wiley ID | 1706431 |