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N-Isopropyl-2-methyl-N-(2-methyloctyl)octan-1-amine
SpectraBase Compound ID GWsQFq2vOFp
InChI InChI=1S/C21H45N/c1-7-9-11-13-15-20(5)17-22(19(3)4)18-21(6)16-14-12-10-8-2/h19-21H,7-18H2,1-6H3
InChIKey FWPQLHUXMSKACB-UHFFFAOYSA-N
Mol Weight 311.6 g/mol
Molecular Formula C21H45N
Exact Mass 311.3552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zYv5JxlfUE
Name N-Isopropyl-2-methyl-N-(2-methyloctyl)octan-1-amine
Appearance Slightly yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H45N
InChI InChI=1S/C21H45N/c1-7-9-11-13-15-20(5)17-22(19(3)4)18-21(6)16-14-12-10-8-2/h19-21H,7-18H2,1-6H3
InChIKey FWPQLHUXMSKACB-UHFFFAOYSA-N
Instrument Name Waters Q-TOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.202100431
Molecular Weight 311.598 g/mol
Reported Formula C21H46N
SMILES C(C)(C)N(CC(CCCCCC)C)CC(CCCCCC)C
SPLASH splash10-0a4i-3902000000-ba4648f1a6c491fe4d06
Source of Spectrum ACI-60-SM18-10b
Thin-Layer Chromatography Rf = 0.19 (SiO2, Hex/EtOAc, 3:1 + 0.02 vol% HNEt2)
Wiley ID 1882432