| SpectraBase Spectrum ID |
G6V7mDz5jtd |
| Name |
N-Phenacyl-N'-(2,3,4-tri-o-acetyl-.beta.D-glucopyranosyl)thiourea |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.135901590 u |
| Formula |
C21H26N2O9S |
| InChI |
InChI=1S/C21H26N2O9S/c1-11(25)29-17-16(10-24)32-20(19(31-13(3)27)18(17)30-12(2)26)23-21(33)22-9-15(28)14-7-5-4-6-8-14/h4-8,16-20,24H,9-10H2,1-3H3,(H2,22,23,33)/t16-,17-,18+,19-,20-/m1/s1 |
| InChIKey |
VKVVXIAHNMCCRW-OUUBHVDSSA-N |
| Molecular Weight |
482.504 g/mol |
| SMILES |
[C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(NC(NCC(=O)C=1C=CC=CC1)=S)[H])(CO)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
