| SpectraBase Spectrum ID |
6ksTGvAj14M |
| Name |
1-Phenyl-2-pyrrolidinylbutan-1-one/A -2H |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.131014170 u |
| Formula |
C14H17NO |
| InChI |
InChI=1S/C14H17NO/c1-2-13(15-10-6-7-11-15)14(16)12-8-4-3-5-9-12/h2-5,8-9H,6-7,10-11H2,1H3/b13-2- |
| InChIKey |
FBRUFBGFIXFZRK-SILLCRNTSA-N |
| Molecular Weight |
215.296 g/mol |
| SMILES |
C(\C(N1CCCC1)=C\C)(C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963858 |
