| SpectraBase Spectrum ID |
455KrOhSz2v |
| Name |
2H-Pyrrole-3-carboxylic acid, 2-ethyl-3,4-dihydro-5-phenyl-, methyl ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.125928789 u |
| Formula |
C14H17NO2 |
| InChI |
InChI=1S/C14H17NO2/c1-3-12-11(14(16)17-2)9-13(15-12)10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3/t11-,12-/m1/s1 |
| InChIKey |
DUSYLALIIZPQHE-VXGBXAGGSA-N |
| Molecular Weight |
231.295 g/mol |
| SMILES |
C1(=N[C@@]([C@@](C1)(C(=O)OC)[H])(CC)[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923946 |
