| SpectraBase Spectrum ID |
nUg47TtoLw |
| Name |
2-o-Allyl-1,3-di-o-benzyl-4,5-o-isopropylidene-D-ribitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.224974125 u |
| Formula |
C25H32O5 |
| InChI |
InChI=1S/C25H32O5/c1-4-15-27-22(18-26-16-20-11-7-5-8-12-20)24(23-19-29-25(2,3)30-23)28-17-21-13-9-6-10-14-21/h4-14,22-24H,1,15-19H2,2-3H3/t22-,23+,24-/m0/s1 |
| InChIKey |
IRLRTZPXFIRAIR-VXNXHJTFSA-N |
| Molecular Weight |
412.526 g/mol |
| SMILES |
[C@@]1(OC(C)(C)OC1)([C@@](OCC1=CC=CC=C1)([C@@](OCC=C)(COCC1=CC=CC=C1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953618 |
