| SpectraBase Spectrum ID |
DvTlumRwlp3 |
| Name |
D-Glucopyranoside, phenyl-2,3,4,6-tetra-o-benzyl-1-thio- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
632.259645557 u |
| Formula |
C40H40O5S |
| InChI |
InChI=1S/C40H40O5S/c1-6-16-31(17-7-1)26-41-30-36-37(42-27-32-18-8-2-9-19-32)38(43-28-33-20-10-3-11-21-33)39(44-29-34-22-12-4-13-23-34)40(45-36)46-35-24-14-5-15-25-35/h1-25,36-40H,26-30H2/t36-,37-,38+,39-,40?/m1/s1 |
| InChIKey |
IKCMSYGNAFDJNX-CAIHAHRASA-N |
| SMILES |
C(O[C@@]1([C@@](OCC2=CC=CC=C2)([C@](OCC2=CC=CC=C2)([C@@](COCC=2C=CC=CC2)(OC1SC=1C=CC=CC1)[H])[H])[H])[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932753 |
