| SpectraBase Spectrum ID |
1Uflz0bLt8T |
| Name |
(2S,5S)-2-Butyl-5-heptyl-1-methylpyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.261300067 u |
| Formula |
C16H33N |
| InChI |
InChI=1S/C16H33N/c1-4-6-8-9-10-12-16-14-13-15(17(16)3)11-7-5-2/h15-16H,4-14H2,1-3H3/t15-,16-/m0/s1 |
| InChIKey |
ZERUIOSVZDUGGN-HOTGVXAUSA-N |
| Molecular Weight |
239.447 g/mol |
| SMILES |
[C@@]1(N([C@](CC1)(CCCCCCC)[H])C)(CCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943654 |
