| SpectraBase Spectrum ID |
5H7C3VT1zx2 |
| Name |
1-(2-Methoxyphenyl)-2-(pyrrolidin-1-yl)pentan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.172878983 u |
| Formula |
C16H23NO2 |
| InChI |
InChI=1S/C16H23NO2/c1-3-8-14(17-11-6-7-12-17)16(18)13-9-4-5-10-15(13)19-2/h4-5,9-10,14H,3,6-8,11-12H2,1-2H3 |
| InChIKey |
CMCSAGCRVCBPBL-UHFFFAOYSA-N |
| Molecular Weight |
261.365 g/mol |
| SMILES |
C1=CC=CC(=C1OC)C(C(N1CCCC1)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827215 |
