| SpectraBase Spectrum ID |
3Vz2op91ULQ |
| Name |
N-{4-[( 5'-Methyl-2',3',4'-triacetylpyranosyl)oxy]benzyl}-N-[ethoxycarbonyl]amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.179146128 u |
| Formula |
C22H29NO10 |
| InChI |
InChI=1S/C22H29NO10/c1-6-28-22(27)23-11-16-7-9-17(10-8-16)33-21-20(32-15(5)26)19(31-14(4)25)18(12(2)29-21)30-13(3)24/h7-10,12,18-21H,6,11H2,1-5H3,(H,23,27)/t12?,18-,19-,20?,21+/m1/s1 |
| InChIKey |
GTQXJGMYZPFFKR-MBJDTJCHSA-N |
| Molecular Weight |
467.471 g/mol |
| SMILES |
C1([C@@]([C@](OC(=O)C)(C(O[C@]1(OC=1C=CC(CNC(=O)OCC)=CC1)[H])C)[H])(OC(=O)C)[H])OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922978 |
![N-{4-[( 5'-Methyl-2',3',4'-triacetylpyranosyl)oxy]benzyl}-N-[ethoxycarbonyl]amine](/api/spectrum/3Vz2op91ULQ/structure.png?h=300&w=458 "N-{4-[( 5'-Methyl-2',3',4'-triacetylpyranosyl)oxy]benzyl}-N-[ethoxycarbonyl]amine")
