| SpectraBase Spectrum ID |
BwIxdTeujWq |
| Name |
3-Heptyl-5-propyl-pyrrolizidine |
| 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/c1-3-5-6-7-8-10-16-12-14-17-13-11-15(9-4-2)18(16)17/h15-17H,3-14H2,1-2H3 |
| InChIKey |
UULOHWOOKADKJD-UHFFFAOYSA-N |
| Molecular Weight |
251.458 g/mol |
| SMILES |
C12N(C(CC2)CCC)C(CC1)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919301 |
