| SpectraBase Spectrum ID |
2IMhMsjGLpV |
| Name |
(2S,3R,4S,5R)-4-Benzyloxy-5-(1,3-dithian-2-yl)-3,5-(4-methoxybenzylidenedioxy)-1,2-epoxypentane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.137816345 u |
| Formula |
C24H28O5S2 |
| InChI |
InChI=1S/C24H28O5S2/c1-25-18-10-8-17(9-11-18)23-28-20(19-15-26-19)21(27-14-16-6-3-2-4-7-16)22(29-23)24-30-12-5-13-31-24/h2-4,6-11,19-24H,5,12-15H2,1H3/t19-,20+,21-,22+,23+/m1/s1 |
| InChIKey |
VLYOCNIUWHAZFX-LILXYRQWSA-N |
| Molecular Weight |
460.603 g/mol |
| SMILES |
[C@@]1([C@@]([C@]([C@@]2(OC2)[H])(O[C@@](O1)(C=1C=CC(=CC1)OC)[H])[H])(OCC=1C=CC=CC1)[H])(C1SCCCS1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975717 |
