| SpectraBase Spectrum ID |
Ch9kBW31tOV |
| Name |
Erythro-hexos-5-ulose, 2,3,6-trideoxy-3-[[(phenylmethoxy)carbonyl]amino]-, 4-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.121237330 u |
| Formula |
C16H19NO6 |
| InChI |
InChI=1S/C16H19NO6/c1-11(19)15(23-12(2)20)14(8-9-18)17-16(21)22-10-13-6-4-3-5-7-13/h3-7,9,14-15H,8,10H2,1-2H3,(H,17,21) |
| InChIKey |
XLCPYGYJTJOKHY-UHFFFAOYSA-N |
| Molecular Weight |
321.329 g/mol |
| SMILES |
C(C(NC(=O)OCC=1C=CC=CC1)CC=O)(OC(=O)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896174 |
![Erythro-hexos-5-ulose, 2,3,6-trideoxy-3-[[(phenylmethoxy)carbonyl]amino]-, 4-acetate](/api/spectrum/Ch9kBW31tOV/structure.png?h=300&w=458 "Erythro-hexos-5-ulose, 2,3,6-trideoxy-3-[[(phenylmethoxy)carbonyl]amino]-, 4-acetate")
