| SpectraBase Spectrum ID |
1ZZm7C9vfNC |
| Name |
(+-)-(3ar*,4R*,5R*,6S*,7R*,7ar*)-7A-hydroxy-5,6-(isopropylidenedioxy)-3A,4,5,6,7,7A-hexahydro-4,7-methano-1H-indazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.116092380 u |
| Formula |
C11H16N2O3 |
| InChI |
InChI=1S/C11H16N2O3/c1-10(2)15-8-5-3-6(9(8)16-10)11(14)7(5)4-12-13-11/h4-9,13-14H,3H2,1-2H3/t5-,6-,7+,8-,9+,11+/m1/s1 |
| InChIKey |
OXNJRXULFBLOGP-DTJAAUDXSA-N |
| Molecular Weight |
224.260 g/mol |
| SMILES |
[C@@]12([C@]3([C@@]4(OC(C)(C)O[C@@]4([C@@]([C@@]2(C=NN1)[H])(C3)[H])[H])[H])[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864629 |
