| SpectraBase Spectrum ID |
3fsrzx3I5xJ |
| Name |
[3,4,5-Triacetoxy-6-(5-nitroindolin-1-yl)tetrahydropyran-2-yl]methyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.153659654 u |
| Formula |
C22H26N2O11 |
| InChI |
InChI=1S/C22H26N2O11/c1-11(25)31-10-18-19(32-12(2)26)20(33-13(3)27)21(34-14(4)28)22(35-18)23-8-7-15-9-16(24(29)30)5-6-17(15)23/h5-6,9,18-22H,7-8,10H2,1-4H3 |
| InChIKey |
OYJPBOWPUKMYRC-UHFFFAOYSA-N |
| Molecular Weight |
494.453 g/mol |
| SMILES |
C(C1OC(C(OC(C)=O)C(C1OC(C)=O)OC(C)=O)N1C2=C(C=C(N(=O)=O)C=C2)CC1)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928671 |
![[3,4,5-Triacetoxy-6-(5-nitroindolin-1-yl)tetrahydropyran-2-yl]methyl acetate](/api/spectrum/3fsrzx3I5xJ/structure.png?h=300&w=458 "[3,4,5-Triacetoxy-6-(5-nitroindolin-1-yl)tetrahydropyran-2-yl]methyl acetate")
