| SpectraBase Spectrum ID |
8VdAcU3n5fV |
| Name |
(6-Nitrovanillylidene)malonic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.095416503 u |
| Formula |
C15H17NO8 |
| InChI |
InChI=1S/C15H17NO8/c1-4-23-14(18)10(15(19)24-5-2)6-9-7-13(22-3)12(17)8-11(9)16(20)21/h6-8,17H,4-5H2,1-3H3 |
| InChIKey |
NABIDOXRVMRIGZ-UHFFFAOYSA-N |
| SMILES |
N(=O)(=O)C1=CC(=C(C=C1C=C(C(OCC)=O)C(OCC)=O)OC)O |
| Spectrum/Structure Validation Score (Raman) |
0.70268 |
