SpectraBase Spectrum ID |
2IHLt1cSenS |
Name |
5-[2-[4-Nitrophenyl]ethenyl]-1,3-benzodioxole |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.068807834 u |
Formula |
C15H11NO4 |
InChI |
InChI=1S/C15H11NO4/c17-16(18)13-6-3-11(4-7-13)1-2-12-5-8-14-15(9-12)20-10-19-14/h1-9H,10H2/b2-1+ |
InChIKey |
YBUXYUGNCKDTFK-OWOJBTEDSA-N |
SMILES |
C1(=CC=C(C=C1)\C=C\C1=CC=C2OCOC2=C1)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963658 |