| SpectraBase Spectrum ID |
8r8l5u9dYoK |
| Name |
(+)-4,5,6-tri-o-allyl-1-o-(p-methoxybenzyl)-myo-inositol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.214803363 u |
| Formula |
C23H32O7 |
| InChI |
InChI=1S/C23H32O7/c1-5-12-27-20-18(24)19(25)21(23(29-14-7-3)22(20)28-13-6-2)30-15-16-8-10-17(26-4)11-9-16/h5-11,18-25H,1-3,12-15H2,4H3/t18-,19+,20+,21+,22-,23-/m0/s1 |
| InChIKey |
HJVQHEMQEWNMAU-RSFSFSNISA-N |
| Molecular Weight |
420.502 g/mol |
| SMILES |
[C@@]1([C@@]([C@](O)([C@]([C@@]([C@]1(OCC=C)[H])(OCC=C)[H])(OCC=C)[H])[H])(O)[H])(OCC=1C=CC(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949775 |
