| SpectraBase Spectrum ID |
5maqwNrrGW2 |
| Name |
α-Pyrrolidinoisohexanophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.177964364 u |
| Formula |
C16H23NO |
| InChI |
InChI=1S/C16H23NO/c1-13(2)12-15(17-10-6-7-11-17)16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3 |
| InChIKey |
UOZWZANRCOALQL-UHFFFAOYSA-N |
| Molecular Weight |
245.366 g/mol |
| SMILES |
C1=CC=CC=C1C(C(CC(C)C)N1CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927284 |
