| SpectraBase Spectrum ID |
2oI6wPQXthW |
| Name |
N-[(Ethoxycarbonyl)methyl]-N'-[(2',3',4',6'-tetraacetyl)-.beta.-D-glucopyranosyl]thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.141380893 u |
| Formula |
C19H28N2O11S |
| InChI |
InChI=1S/C19H28N2O11S/c1-6-27-14(26)7-20-19(33)21-18-17(31-12(5)25)16(30-11(4)24)15(29-10(3)23)13(32-18)8-28-9(2)22/h13,15-18H,6-8H2,1-5H3,(H2,20,21,33)/t13-,15-,16+,17-,18-/m1/s1 |
| InChIKey |
BLFIGUXENIYWFX-SOVHRIKKSA-N |
| Molecular Weight |
492.496 g/mol |
| SMILES |
[C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(NC(=S)NCC(=O)OCC)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957286 |
![N-[(Ethoxycarbonyl)methyl]-N'-[(2',3',4',6'-tetraacetyl)-.beta.-D-glucopyranosyl]thiourea](/api/spectrum/2oI6wPQXthW/structure.png?h=300&w=458 "N-[(Ethoxycarbonyl)methyl]-N'-[(2',3',4',6'-tetraacetyl)-.beta.-D-glucopyranosyl]thiourea")
