SpectraBase Spectrum ID |
1CDgK0vGwsO |
Name |
5-(Diphenylmethyl)-6-methylthiazolo[3,2-A]pyrimidin-7-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
332.098334316 u |
Formula |
C20H16N2OS |
InChI |
InChI=1S/C20H16N2OS/c1-14-18(22-12-13-24-20(22)21-19(14)23)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,17H,1H3 |
InChIKey |
LTIGDWGNZKBBTJ-UHFFFAOYSA-N |
Molecular Weight |
332.421 g/mol |
SMILES |
C12=NC(C(=C(N2C=CS1)C(C1=CC=CC=C1)C=1C=CC=CC1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910015 |