SpectraBase Spectrum ID |
6b4H8MrRuqG |
Name |
7-(Diethylamino)-3-[N-(4-methylphenyl)carboximidoyl]chromen-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
334.168127954 u |
Formula |
C21H22N2O2 |
InChI |
InChI=1S/C21H22N2O2/c1-4-23(5-2)19-11-8-16-12-17(21(24)25-20(16)13-19)14-22-18-9-6-15(3)7-10-18/h6-14H,4-5H2,1-3H3/b22-14+ |
InChIKey |
YXRQMBFWHFAKNL-HYARGMPZSA-N |
Molecular Weight |
334.419 g/mol |
SMILES |
C12=C(OC(C(=C2)\C=N\C2=CC=C(C)C=C2)=O)C=C(C=C1)N(CC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842051 |