| SpectraBase Spectrum ID |
FQJp2AVCvDK |
| Name |
Methyl 7-nitro-1,2,3,4-tetrahydropyrido[1,2-A]benzimidazol-5-yl ketone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.111341352 u |
| Formula |
C13H15N3O3 |
| InChI |
InChI=1S/C13H15N3O3/c1-9(17)15-12-8-10(16(18)19)5-6-11(12)14-7-3-2-4-13(14)15/h5-6,8,13H,2-4,7H2,1H3 |
| InChIKey |
RYVQLLHTPLTOFG-UHFFFAOYSA-N |
| Molecular Weight |
261.281 g/mol |
| SMILES |
N(=O)(=O)C1=CC2=C(C=C1)N1C(N2C(C)=O)CCCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.983745 |
![Methyl 7-nitro-1,2,3,4-tetrahydropyrido[1,2-A]benzimidazol-5-yl ketone](/api/spectrum/FQJp2AVCvDK/structure.png?h=300&w=458 "Methyl 7-nitro-1,2,3,4-tetrahydropyrido[1,2-A]benzimidazol-5-yl ketone")
