SpectraBase Spectrum ID |
JY0NVz4bUk3 |
Name |
1-(3,4-Dimethyl-pyrrolidin-1-yl)-3-phenyl-propan-1,3-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.141578854 u |
Formula |
C15H19NO2 |
InChI |
InChI=1S/C15H19NO2/c1-11-9-16(10-12(11)2)15(18)8-14(17)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3 |
InChIKey |
RITOIHQRSWLAOA-UHFFFAOYSA-N |
Molecular Weight |
245.322 g/mol |
SMILES |
C1N(CC(C1C)C)C(CC(=O)C1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963043 |