| SpectraBase Spectrum ID |
Fz6Cb39LcJT |
| Name |
3-(1'-Hydroxyethyl)-6-methyl-2-(hydroxymethyl)-4H-pyrido[1,2-A]pyrimidin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.100442316 u |
| Formula |
C12H14N2O3 |
| InChI |
InChI=1S/C12H14N2O3/c1-7-4-3-5-10-13-9(6-15)11(8(2)16)12(17)14(7)10/h3-5,8,15-16H,6H2,1-2H3 |
| InChIKey |
TWZKXAPUUWTFAV-UHFFFAOYSA-N |
| Molecular Weight |
234.255 g/mol |
| SMILES |
C1(N2C(=NC(=C1C(O)C)CO)C=CC=C2C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811242 |
![3-(1'-hydroxyethyl)-6-methyl-2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one](/api/spectrum/Fz6Cb39LcJT/structure.png?h=300&w=458 "3-(1'-hydroxyethyl)-6-methyl-2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one")
