| SpectraBase Spectrum ID |
GcHDEk8O8zl |
| Name |
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-nitrobenzamide, N-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.090271554 u |
| Formula |
C16H14N2O5 |
| InChI |
InChI=1S/C16H14N2O5/c1-17(12-5-6-14-15(10-12)23-8-7-22-14)16(19)11-3-2-4-13(9-11)18(20)21/h2-6,9-10H,7-8H2,1H3 |
| InChIKey |
VIXBEXNXPUWPNG-UHFFFAOYSA-N |
| Molecular Weight |
314.297 g/mol |
| SMILES |
C(N(C1=CC2=C(C=C1)OCCO2)C)(=O)C1=CC(N(=O)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910433 |
