| SpectraBase Spectrum ID |
LM8Ngypiabh |
| Name |
1,2,3-Trimethylxanth-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.099379689 u |
| Formula |
C16H14O2 |
| InChI |
InChI=1S/C16H14O2/c1-9-8-14-15(11(3)10(9)2)16(17)12-6-4-5-7-13(12)18-14/h4-8H,1-3H3 |
| InChIKey |
AIRZNICAAPUFLD-UHFFFAOYSA-N |
| Molecular Weight |
238.286 g/mol |
| SMILES |
C1=2C(C=3C=CC=CC3OC2C=C(C(=C1C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934854 |
