SpectraBase Spectrum ID |
GS9GjjG4jmz |
Name |
Methylprimidone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
232.121177761 u |
Formula |
C13H16N2O2 |
InChI |
InChI=1S/C13H16N2O2/c1-3-13(10-7-5-4-6-8-10)11(16)14-9-15(2)12(13)17/h4-8H,3,9H2,1-2H3,(H,14,16) |
InChIKey |
YODZWEAADLCRLK-UHFFFAOYSA-N |
Molecular Weight |
232.283 g/mol |
SMILES |
C1(C(N(CNC1=O)C)=O)(C1=CC=CC=C1)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922641 |