| SpectraBase Spectrum ID |
LSX85Y4pyX9 |
| Name |
(Z)-3-(1,3-Benzodioxol-5-yl)-2-nitro-2-propenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.058637072 u |
| Formula |
C12H11NO6 |
| InChI |
InChI=1S/C12H11NO6/c1-2-17-12(14)9(13(15)16)5-8-3-4-10-11(6-8)19-7-18-10/h3-6H,2,7H2,1H3/b9-5- |
| InChIKey |
DHFPSLRVINJCHD-UITAMQMPSA-N |
| Molecular Weight |
265.221 g/mol |
| SMILES |
C=1(\C=C\(N(=O)=O)C(=O)OCC)C=C2OCOC2=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980859 |
