| SpectraBase Spectrum ID |
EQ20xNi4Xrm |
| Name |
2H-7-(N,N-Diethylamino)-6-nitro-1-benzopyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.116092380 u |
| Formula |
C13H16N2O3 |
| InChI |
InChI=1S/C13H16N2O3/c1-3-14(4-2)11-9-13-10(6-5-7-18-13)8-12(11)15(16)17/h5-6,8-9H,3-4,7H2,1-2H3 |
| InChIKey |
RJRCGACUASGXJE-UHFFFAOYSA-N |
| Molecular Weight |
248.282 g/mol |
| SMILES |
C1(N(=O)=O)=C(C=C2C(=C1)C=CCO2)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902237 |
