| SpectraBase Spectrum ID |
306CrirB3yk |
| Name |
3-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-phenyl)-1-pyrrolidin-1-yl-propan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.162708221 u |
| Formula |
C21H23NO4 |
| InChI |
InChI=1S/C21H23NO4/c1-24-18-7-3-2-6-16(18)17(13-21(23)22-10-4-5-11-22)15-8-9-19-20(12-15)26-14-25-19/h2-3,6-9,12,17H,4-5,10-11,13-14H2,1H3 |
| InChIKey |
AEGHNVIUXMRJME-UHFFFAOYSA-N |
| Molecular Weight |
353.418 g/mol |
| SMILES |
C(CC(C1=CC=2OCOC2C=C1)C=1C(OC)=CC=CC1)(N1CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941723 |
![3-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-phenyl)-1-pyrrolidin-1-yl-propan-1-one](/api/spectrum/306CrirB3yk/structure.png?h=300&w=458 "3-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-phenyl)-1-pyrrolidin-1-yl-propan-1-one")
