| SpectraBase Spectrum ID |
8bsrnA6VHT6 |
| Name |
trans-Ethyl 1-(n-butyl)-3,4-dicyanopyrrolidine-2-carboxylate |
| Appearance |
Colourless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.147726862 u |
| Formula |
C13H19N3O2 |
| InChI |
InChI=1S/C13H19N3O2/c1-3-5-6-16-9-10(7-14)11(8-15)12(16)13(17)18-4-2/h10-12H,3-6,9H2,1-2H3 |
| InChIKey |
AOBZSKYTJSXHJK-UHFFFAOYSA-N |
| Instrument Name |
FISONS INSTRUMENTS TRIO 1000 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.3998/ark.5550190.0002.517 |
| Molecular Weight |
249.314 g/mol |
| Quality |
303 |
| SMILES |
C(C)OC(=O)C1N(CC(C1C#N)C#N)CCCC |
| SPLASH |
splash10-056s-5950000000-45daae4c571221583d5f |
| Sample Comments |
2,3-trans isomer |
| Source of Spectrum |
ARK-2001-160-trans-4c (DOI: 10.3998/ark.5550190.0002.517) |
| Wiley ID |
1908771 |
