| SpectraBase Spectrum ID |
KhvSgtlbxg0 |
| Name |
1,4-Anhydro-1-deoxo-2,3-dideoxy-1-imino-5,6:8,9-di-o-isopropylidene-.alpha.-D-manno-4-nonosulo-4,7-furanose N-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.152537459 u |
| Formula |
C15H23NO6 |
| InChI |
InChI=1S/C15H23NO6/c1-14(2)18-8-9(20-14)7-11-13(22-15(3,4)21-11)10-5-6-12(16-17)19-10/h9,11,16H,5-8H2,1-4H3/b13-10-,16-12+ |
| InChIKey |
JGLINLRAGCDXDN-USNKLODOSA-N |
| SMILES |
C1(O\C(=C\2C(OC(O2)(C)C)CC2OC(C)(C)OC2)CC1)=[NH+][O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951352 |
