| SpectraBase Spectrum ID |
K9t8QJCXLog |
| Name |
3-Methyl-2-phenacylidene-1,2,3,4-tetrahydro-quinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.105527697 u |
| Formula |
C17H14N2O2 |
| InChI |
InChI=1S/C17H14N2O2/c1-19-16(11-15(20)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)17(19)21/h2-11,18H,1H3/b16-11- |
| InChIKey |
STIIPNLZBNQNFJ-WJDWOHSUSA-N |
| SMILES |
C(\C=C/1N(C(C=2C(N1)=CC=CC2)=O)C)(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907015 |
