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1-Amino-3-butyl-2-(1-butylpentyl)heptylamine
SpectraBase Compound ID KPQJ6qiPxpY
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
Mol Weight 312.6 g/mol
Molecular Formula C20H44N2
Exact Mass 312.350449 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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