SpectraBase Spectrum ID |
DI5CzAWXnTY |
Name |
10-Hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-B]quinazoline-3,6-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
327.158291545 u |
Formula |
C18H21N3O3 |
InChI |
InChI=1S/C18H21N3O3/c1-9(2)8-12-16-20-14-11(6-5-7-13(14)22)18(24)21(16)15(10(3)4)17(23)19-12/h5-10,15,22H,1-4H3,(H,19,23)/b12-8- |
InChIKey |
UVGDCLGJXMBOBD-WQLSENKSSA-N |
Molecular Weight |
327.384 g/mol |
SMILES |
C1(O)=CC=CC=2C(=O)N3C(C(C)C)C(=O)N\C(=C/C(C)C)C3=NC12 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948505 |