| SpectraBase Compound ID | 9BSN0hfVjcL |
|---|---|
| InChI | InChI=1S/C25H36N2O6/c1-14(15(2)28)24-20(33-24)9-17-13-32-21(23(31)22(17)30)12-25(3)11-18(26-27-25)10-19(29)16-7-5-4-6-8-16/h4-8,14-15,17,20-24,27-28,30-31H,9-13H2,1-3H3/t14-,15-,17-,20+,21-,22+,23-,24-,25?/m0/s1 |
| InChIKey | XVRTZBCVBKZPMV-UEQLDMJNSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C25H36N2O6 |
| Exact Mass | 460.257337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TnwpnQilYW |
|---|---|
| Name | DIHYDROPYRAZOLE;ISOMER-B(MORE-POLAR) |
| Compound Number | 6 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C25H36N2O6/c1-14(15(2)28)24-20(33-24)9-17-13-32-21(23(31)22(17)30)12-25(3)11-18(26-27-25)10-19(29)16-7-5-4-6-8-16/h4-8,14-15,17,20-24,27-28,30-31H,9-13H2,1-3H3/t14-,15-,17-,20+,21-,22+,23-,24-,25?/m0/s1 |
| InChIKey | XVRTZBCVBKZPMV-UEQLDMJNSA-N |
| Literature Reference | A.K.FORREST,P.J.OHANLON,G.WALKER J.CHEM.SOC.PERKIN-1,2657(1994) |
| Solvent | Chloroform-d |