| SpectraBase Spectrum ID |
3kUvNHF0QD2 |
| Name |
(E)-Dimethyl 2-(3-cyanobenzylidene)succinate |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.084457899 u |
| Formula |
C14H13NO4 |
| InChI |
InChI=1S/C14H13NO4/c1-18-13(16)8-12(14(17)19-2)7-10-4-3-5-11(6-10)9-15/h3-7H,8H2,1-2H3/b12-7+ |
| InChIKey |
CIBORTDRXBVSCU-KPKJPENVSA-N |
| Instrument Name |
Agilent 5975C inert XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503744 |
| Molecular Weight |
259.261 g/mol |
| Quality |
528 |
| Reported Formula |
C14H13NO4 |
| SMILES |
C=1C=C(C=C(\C=C\(C(=O)OC)CC(=O)OC)C1)C#N |
| SPLASH |
splash10-052f-1930000000-628669e9c5cebb123ea3 |
| Source of Spectrum |
QE-22-SM17-3ay (DOI: 10.1002/chem.201503744) |
| Thin-Layer Chromatography |
0.21 (SiO2, CH/EtOAc, 2:1) |
| Wiley ID |
1903611 |
