| SpectraBase Spectrum ID |
GF3F6KddKLf |
| Name |
2,3,5-tri-o-p-Nitrobenzoyl-.alpha.-D-arabinosyl cyanide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
606.087036643 u |
| Formula |
C27H18N4O13 |
| InChI |
InChI=1S/C27H18N4O13/c28-13-21-23(43-26(33)16-3-9-19(10-4-16)30(37)38)24(44-27(34)17-5-11-20(12-6-17)31(39)40)22(42-21)14-41-25(32)15-1-7-18(8-2-15)29(35)36/h1-12,21-24H,14H2 |
| InChIKey |
NHOKQURCMIXYRJ-UHFFFAOYSA-N |
| Molecular Weight |
606.456 g/mol |
| SMILES |
C1(C(C(COC(C2=CC=C(C=C2)N(=O)=O)=O)OC1C#N)OC(C1=CC=C(C=C1)N(=O)=O)=O)OC(C1=CC=C(C=C1)N(=O)=O)=O |
