| SpectraBase Spectrum ID |
5yM5w4yWMj |
| Name |
3-(4-Hydroxy-3,5-xylyl)-2-methyl-4(3H)-quinazolinone, acetate(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.131742445 u |
| Formula |
C19H18N2O3 |
| InChI |
InChI=1S/C19H18N2O3/c1-11-9-15(10-12(2)18(11)24-14(4)22)21-13(3)20-17-8-6-5-7-16(17)19(21)23/h5-10H,1-4H3 |
| InChIKey |
WTAYWZGHFHJIPV-UHFFFAOYSA-N |
| Molecular Weight |
322.364 g/mol |
| SMILES |
C1=CC=CC2=C1C(=O)N(C=1C=C(C)C(=C(C1)C)OC(C)=O)C(C)=N2 |
| Spectrum/Structure Validation Score (Raman) |
0.795772 |
