| SpectraBase Spectrum ID |
KODGlvsknRj |
| Name |
2-[6-(2,4-Diketo-5-methyl-pyrimidin-1-yl)hexyl]isoindoline-1,3-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.153206164 u |
| Formula |
C19H21N3O4 |
| InChI |
InChI=1S/C19H21N3O4/c1-13-12-21(19(26)20-16(13)23)10-6-2-3-7-11-22-17(24)14-8-4-5-9-15(14)18(22)25/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,20,23,26) |
| InChIKey |
OGEUFBIFJZPNJI-UHFFFAOYSA-N |
| Molecular Weight |
355.394 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)CCCCCCN1C(NC(C(=C1)C)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979452 |
![2-[6-(2,4-Diketo-5-methyl-pyrimidin-1-yl)hexyl]isoindoline-1,3-quinone](/api/spectrum/KODGlvsknRj/structure.png?h=300&w=458 "2-[6-(2,4-Diketo-5-methyl-pyrimidin-1-yl)hexyl]isoindoline-1,3-quinone")
