SpectraBase Spectrum ID |
EQ3QYYNcfg3 |
Name |
1-(2,6-Dimethylphenyl)-2,5-dimethylpyrrolidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
203.167399680 u |
Formula |
C14H21N |
InChI |
InChI=1S/C14H21N/c1-10-6-5-7-11(2)14(10)15-12(3)8-9-13(15)4/h5-7,12-13H,8-9H2,1-4H3 |
InChIKey |
DPAPQJOORXCTSH-UHFFFAOYSA-N |
Molecular Weight |
203.329 g/mol |
SMILES |
C=1(N2C(CCC2C)C)C(=CC=CC1C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946512 |