| SpectraBase Spectrum ID |
J6Vy5QOvPVY |
| Name |
1,2-Anhydro-3,6-bis(o-benzyl)-4,5-diisopropyl-myo-inositol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.178023932 u |
| Formula |
C23H26O5 |
| InChI |
InChI=1S/C23H26O5/c1-23(2)27-21-17(24-13-15-9-5-3-6-10-15)19-20(26-19)18(22(21)28-23)25-14-16-11-7-4-8-12-16/h3-12,17-22H,13-14H2,1-2H3/t17-,18-,19-,20+,21+,22+/m1/s1 |
| InChIKey |
BZJLKRVUQGUXMR-UQOPEDAQSA-N |
| Molecular Weight |
382.456 g/mol |
| SMILES |
[C@@]12([C@]([C@@](OCC3=CC=CC=C3)([C@]3([C@]([C@@]1(OCC1=CC=CC=C1)[H])(OC(C)(C)O3)[H])[H])[H])(O2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929968 |
