SpectraBase Spectrum ID |
EXvRWjvheGP |
Name |
2-Methyl-alpha-pyrrolidinobutiophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.162314299 u |
Formula |
C15H21NO |
InChI |
InChI=1S/C15H21NO/c1-3-14(16-10-6-7-11-16)15(17)13-9-5-4-8-12(13)2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3 |
InChIKey |
RZXMFZFHBTYBOE-UHFFFAOYSA-N |
Molecular Weight |
231.339 g/mol |
SMILES |
C1=CC=CC(=C1C)C(C(N1CCCC1)CC)=O |
Spectrum/Structure Validation Score (Raman) |
0.966925 |