| SpectraBase Spectrum ID |
LKH8izs1A17 |
| Name |
2-[[(2-ketocyclohepta[B]pyrrol-1-yl)amino]methylene]malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.121571683 u |
| Formula |
C17H18N2O5 |
| InChI |
InChI=1S/C17H18N2O5/c1-3-23-16(21)13(17(22)24-4-2)11-18-19-14-9-7-5-6-8-12(14)10-15(19)20/h5-11,18H,3-4H2,1-2H3 |
| InChIKey |
UZRVIKOIHITCQF-UHFFFAOYSA-N |
| Molecular Weight |
330.340 g/mol |
| SMILES |
C=12N(C(C=C2C=CC=CC1)=O)NC=C(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887241 |
![2-[[(2-ketocyclohepta[B]pyrrol-1-yl)amino]methylene]malonic acid diethyl ester](/api/spectrum/LKH8izs1A17/structure.png?h=300&w=458 "2-[[(2-ketocyclohepta[B]pyrrol-1-yl)amino]methylene]malonic acid diethyl ester")
