| SpectraBase Spectrum ID |
3ykoYs4VR6i |
| Name |
(E)-Tert-butyl 3-(1-cyano-2-ethoxy-2-oxoethylidene)-2-oxoindoline-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.121571683 u |
| Formula |
C18H18N2O5 |
| InChI |
InChI=1S/C18H18N2O5/c1-5-24-16(22)12(10-19)14-11-8-6-7-9-13(11)20(15(14)21)17(23)25-18(2,3)4/h6-9H,5H2,1-4H3/b14-12+ |
| InChIKey |
SCWABHYNFKMGSZ-WYMLVPIESA-N |
| Molecular Weight |
342.351 g/mol |
| SMILES |
C1(N(C=2C(\C1=C\(C(=O)OCC)C#N)=CC=CC2)C(OC(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815333 |
