| SpectraBase Spectrum ID |
7OCNhEfsUKm |
| Name |
(1S,2R)-1,2-di-Adamantan-1-yl-ethane-1,2-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.255880333 u |
| Formula |
C22H34O2 |
| InChI |
InChI=1S/C22H34O2/c23-19(21-7-13-1-14(8-21)3-15(2-13)9-21)20(24)22-10-16-4-17(11-22)6-18(5-16)12-22/h13-20,23-24H,1-12H2/t13-,14+,15-,16-,17+,18-,19-,20+,21-,22- |
| InChIKey |
YZWJZKCXXVUTDO-BBRRFOCGSA-N |
| Molecular Weight |
330.512 g/mol |
| SMILES |
C12([C@]([C@](C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])(O)[H])(O)[H])C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974413 |
