SpectraBase Spectrum ID |
Bth2lMaf0Uc |
Name |
4-Hydroxy-6-methyl-1-pyridin-2-ylmethyl-1H-pyridin-2-one |
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/c1-9-6-11(15)7-12(16)14(9)8-10-4-2-3-5-13-10/h2-7,15H,8H2,1H3 |
InChIKey |
MCHOTPBXDZYNMW-UHFFFAOYSA-N |
Molecular Weight |
216.240 g/mol |
SMILES |
C1(C=C(O)C=C(N1CC1=CC=CC=N1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835188 |