SpectraBase Spectrum ID |
B8b2npctDps |
Name |
2-Methoxydiftalone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.100442316 u |
Formula |
C17H14N2O3 |
InChI |
InChI=1S/C17H14N2O3/c1-22-13-6-7-15-12(8-13)10-19-16(20)14-5-3-2-4-11(14)9-18(19)17(15)21/h2-8H,9-10H2,1H3 |
InChIKey |
MDYOUKIODBEHIU-UHFFFAOYSA-N |
Molecular Weight |
294.310 g/mol |
SMILES |
C12=C(CN3N(C2=O)CC=2C(C3=O)=CC=C(C2)OC)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806936 |