![1H-Pyrazole, 3,5-bis(tricyclo[3.3.1.1(3,7)]dec-1-yl)-](/api/spectrum/IfxQc6lJAzx/structure.png?h=300&w=458 "1H-Pyrazole, 3,5-bis(tricyclo[3.3.1.1(3,7)]dec-1-yl)-")
| SpectraBase Compound ID | 592Ihl4fgDL |
|---|---|
| InChI | InChI=1S/C23H32N2/c1-13-5-18-7-14(1)8-19(6-13)22(18)20-9-21(25-24-20)23-10-15-2-16(11-23)4-17(3-15)12-23/h9,13-19,22H,1-8,10-12H2,(H,24,25)/t13?,14?,15-,16+,17-,18-,19?,22-,23-/m0/s1 |
| InChIKey | HSFFDAJXFADCGH-RTHPRDMZSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C23H32N2 |
| Exact Mass | 336.256549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfxQc6lJAzx |
|---|---|
| Name | 1H-Pyrazole, 3,5-bis(tricyclo[3.3.1.13,7]dec-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.256549038 u |
| Formula | C23H32N2 |
| InChI | InChI=1S/C23H32N2/c1-13-5-18-7-14(1)8-19(6-13)22(18)20-9-21(25-24-20)23-10-15-2-16(11-23)4-17(3-15)12-23/h9,13-19,22H,1-8,10-12H2,(H,24,25)/t13?,14?,15-,16+,17-,18-,19?,22-,23-/m0/s1 |
| InChIKey | HSFFDAJXFADCGH-RTHPRDMZSA-N |
| SMILES | N1N=C(C=C1[C@]1(C2CC3CC1CC(C2)C3)[H])C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |