| SpectraBase Spectrum ID |
4rQPjuTSp9x |
| Name |
Methyl-2,5-di-o-p-nitrobenzoyl-3-deoxy-.beta.-D-threopentofuranoside |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.096144778 u |
| Formula |
C20H18N2O10 |
| InChI |
InChI=1S/C20H18N2O10/c1-29-20-17(32-19(24)13-4-8-15(9-5-13)22(27)28)10-16(31-20)11-30-18(23)12-2-6-14(7-3-12)21(25)26/h2-9,16-17,20H,10-11H2,1H3 |
| InChIKey |
PMVHEBCAYMTKBT-UHFFFAOYSA-N |
| Molecular Weight |
446.368 g/mol |
| SMILES |
C1=CC(=CC=C1N(=O)=O)C(OCC1OC(C(OC(C=2C=CC(=CC2)N(=O)=O)=O)C1)OC)=O |
