| SpectraBase Spectrum ID |
DIFFAIWPV0O |
| Name |
1-Acetamido-1,2,3-trideoxy-3-(N-methylacetamido)-dl-scyllo-inositol 4,5,6-triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.168915797 u |
| Formula |
C17H26N2O8 |
| InChI |
InChI=1S/C17H26N2O8/c1-8(20)18-13-7-14(19(6)9(2)21)16(26-11(4)23)17(27-12(5)24)15(13)25-10(3)22/h13-17H,7H2,1-6H3,(H,18,20) |
| InChIKey |
IHJRKQWUBDJIQM-UHFFFAOYSA-N |
| Molecular Weight |
386.401 g/mol |
| SMILES |
C1(C(C(CC(C1OC(C)=O)N(C(C)=O)C)NC(C)=O)OC(C)=O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972565 |
