SpectraBase Spectrum ID |
AWQLsETxDt9 |
Name |
1H-Benzo[D,E]cinnoline, 1-ethyl-6-methoxy-3-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
240.126263142 u |
Formula |
C15H16N2O |
InChI |
InChI=1S/C15H16N2O/c1-4-17-13-7-5-6-12-14(18-3)9-8-11(15(12)13)10(2)16-17/h5-9H,4H2,1-3H3 |
InChIKey |
SETXZYWAYSWZNE-UHFFFAOYSA-N |
Molecular Weight |
240.306 g/mol |
SMILES |
CCN1C=2C3=C(C(=N1)C)C=CC(OC)=C3C=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885955 |