SpectraBase Spectrum ID |
EIGiuctUtyU |
Name |
1-Amino-3-butyl-2-(1-butylpentyl)heptylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
312.350449425 u |
Formula |
C20H44N2 |
InChI |
InChI=1S/C20H44N2/c1-5-9-13-17(14-10-6-2)19(20(21)22)18(15-11-7-3)16-12-8-4/h17-20H,5-16,21-22H2,1-4H3 |
InChIKey |
KKTJQRZURQDTEF-UHFFFAOYSA-N |
Molecular Weight |
312.586 g/mol |
SMILES |
C(C(C(CCCC)CCCC)C(CCCC)CCCC)(N)N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912015 |