| SpectraBase Spectrum ID |
A1E5Lw8ALjG |
| Name |
Ethyl 3,5-Dimethyl-4-(3-(13)C-cyanopropyl)-1H-pyrrole-2-carboxylate |
| Comments |
Original formula: C12[13C]H18N2O2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18N2O2 |
| InChI |
InChI=1S/C13H18N2O2/c1-4-17-13(16)12-9(2)11(10(3)15-12)7-5-6-8-14/h15H,4-7H2,1-3H3/i8+1 |
| InChIKey |
PISQHNMEYSLGCP-VJJZLTLGSA-N |
| Molecular Weight |
235.291 g/mol |
| SMILES |
[nH]1c(c(c(c1C(=O)OCC)C)CCC[13C]#N)C |
| SPLASH |
splash10-001i-0910000000-a279220bc96c08c344c9 |
| Source of Spectrum |
F-53-2713-19 |
| Wiley ID |
800671 |
