| SpectraBase Spectrum ID |
90PDVMV2oZz |
| Name |
2-(1-Benzylpyrrolidin-2-yl)acetic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.157228918 u |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-2-18-15(17)11-14-9-6-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3 |
| InChIKey |
DJVUPVOYKBTAIH-UHFFFAOYSA-N |
| Molecular Weight |
247.338 g/mol |
| SMILES |
C(CC1N(CCC1)CC=1C=CC=CC1)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92304 |
