| SpectraBase Spectrum ID |
37kdWAuT1xb |
| Name |
Pyrrolidine, 3-[4-(1,1-dimethylethyl)phenyl]-1-(4,4-dimethylpentyl)-4-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.292600195 u |
| Formula |
C22H37N |
| InChI |
InChI=1S/C22H37N/c1-17-15-23(14-8-13-21(2,3)4)16-20(17)18-9-11-19(12-10-18)22(5,6)7/h9-12,17,20H,8,13-16H2,1-7H3 |
| InChIKey |
LQSGEQZXTOTADE-UHFFFAOYSA-N |
| SMILES |
C1C(C(CN1CCCC(C)(C)C)C)C1=CC=C(C=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.950413 |
![Pyrrolidine, 3-[4-(1,1-dimethylethyl)phenyl]-1-(4,4-dimethylpentyl)-4-methyl-](/api/spectrum/37kdWAuT1xb/structure.png?h=300&w=458 "Pyrrolidine, 3-[4-(1,1-dimethylethyl)phenyl]-1-(4,4-dimethylpentyl)-4-methyl-")
