SpectraBase Spectrum ID |
3gJJHizolJt |
Name |
1-Ethyl-2-(5-hexenyl)-5-(8-nonenyl)pyrrolidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
305.308250260 u |
Formula |
C21H39N |
InChI |
InChI=1S/C21H39N/c1-4-7-9-11-12-13-15-17-21-19-18-20(22(21)6-3)16-14-10-8-5-2/h4-5,20-21H,1-2,6-19H2,3H3 |
InChIKey |
DLNITPLUNNVSMW-UHFFFAOYSA-N |
Molecular Weight |
305.550 g/mol |
SMILES |
C1(N(C(CC1)CCCCC=C)CC)CCCCCCCC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887188 |