SpectraBase Spectrum ID |
9ekmmP5JjJi |
Name |
4-Methyl-2H,3H,3ah-pyrrolo[1,2-A]quinazoline-1,5-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
216.089877632 u |
Formula |
C12H12N2O2 |
InChI |
InChI=1S/C12H12N2O2/c1-13-10-6-7-11(15)14(10)9-5-3-2-4-8(9)12(13)16/h2-5,10H,6-7H2,1H3 |
InChIKey |
GYGHJWHGJSLXIC-UHFFFAOYSA-N |
Molecular Weight |
216.240 g/mol |
SMILES |
C12N(C=3C(C(N2C)=O)=CC=CC3)C(=O)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878468 |