| SpectraBase Spectrum ID |
9vsBiqTtFdk |
| Name |
4,6-di-o-Acetyl-3-(T-butylthio)-2,3-dideoxy-1-o-(p-nitrobenzoyl)-D-arabino-hexopyranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.140652618 u |
| Formula |
C21H27NO9S |
| InChI |
InChI=1S/C21H27NO9S/c1-12(23)28-11-16-19(29-13(2)24)17(32-21(3,4)5)10-18(30-16)31-20(25)14-6-8-15(9-7-14)22(26)27/h6-9,16-19H,10-11H2,1-5H3 |
| InChIKey |
XYKCJZYMKIBZAS-UHFFFAOYSA-N |
| Molecular Weight |
469.505 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C(OC2OC(COC(=O)C)C(C(C2)SC(C)(C)C)OC(=O)C)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921286 |
