| SpectraBase Spectrum ID |
2ij6aIo5fUJ |
| Name |
(3R,5R,7ar)-3-Butyl-5-hexylhexahydro-1H-pyrrolizine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.261300067 u |
| Formula |
C17H33N |
| InChI |
InChI=1S/C17H33N/c1-3-5-7-8-10-16-12-14-17-13-11-15(18(16)17)9-6-4-2/h15-17H,3-14H2,1-2H3/t15-,16-,17-/m1/s1 |
| InChIKey |
GVLDQCOKHBVFPA-BRWVUGGUSA-N |
| Molecular Weight |
251.458 g/mol |
| SMILES |
C1[C@]2(N([C@@](CC2)(CCCCCC)[H])[C@@](C1)(CCCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943831 |
