| SpectraBase Spectrum ID |
31Puh9FA7vO |
| Name |
.beta.-Methyl 2-nitroxy-3,5-di-p-nitrobenzoyl-D-arabinose |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
507.076137606 u |
| Formula |
C20H17N3O13 |
| InChI |
InChI=1S/C20H17N3O13/c1-32-20-17(36-23(30)31)16(35-19(25)12-4-8-14(9-5-12)22(28)29)15(34-20)10-33-18(24)11-2-6-13(7-3-11)21(26)27/h2-9,15-17,20H,10H2,1H3 |
| InChIKey |
BKIKULNUEIETOO-UHFFFAOYSA-N |
| Molecular Weight |
507.364 g/mol |
| SMILES |
C1(C(C(COC(C2=CC=C(C=C2)N(=O)=O)=O)OC1OC)OC(=O)C1=CC=C(C=C1)N(=O)=O)ON(=O)=O |
