| SpectraBase Spectrum ID |
AqKJxQSvtYL |
| Name |
1,3-Benzodioxole, 5-(4-nitrophenoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.048072389 u |
| Formula |
C13H9NO5 |
| InChI |
InChI=1S/C13H9NO5/c15-14(16)9-1-3-10(4-2-9)19-11-5-6-12-13(7-11)18-8-17-12/h1-7H,8H2 |
| InChIKey |
COESAXSVDFHOHC-UHFFFAOYSA-N |
| Molecular Weight |
259.217 g/mol |
| SMILES |
C1=C(OC2=CC=3OCOC3C=C2)C=CC(N(=O)=O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972129 |
