| SpectraBase Spectrum ID |
qvwKz6XzIM |
| Name |
1-Acetamido-1,3-dideoxy-3-(N-methylacetamido)-dl-myo-inositol 2,4,5,6-tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.174395100 u |
| Formula |
C19H28N2O10 |
| InChI |
InChI=1S/C19H28N2O10/c1-8(22)20-14-16(28-10(3)24)15(21(7)9(2)23)18(30-12(5)26)19(31-13(6)27)17(14)29-11(4)25/h14-19H,1-7H3,(H,20,22) |
| InChIKey |
VBFLZYXVBQWBFZ-UHFFFAOYSA-N |
| Molecular Weight |
444.437 g/mol |
| SMILES |
C1(C(C(C(C(C1OC(C)=O)N(C(C)=O)C)OC(=O)C)NC(C)=O)OC(C)=O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951273 |
