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3,4,5-Tridodecylaniline

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3,4,5-Tridodecylaniline
SpectraBase Compound ID F9tsBNvZ9bX
InChI InChI=1S/C42H79N/c1-4-7-10-13-16-19-22-25-28-31-34-39-37-41(43)38-40(35-32-29-26-23-20-17-14-11-8-5-2)42(39)36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36,43H2,1-3H3
InChIKey GURQTFKCDBJBOV-UHFFFAOYSA-N
Mol Weight 598.1 g/mol
Molecular Formula C42H79N
Exact Mass 597.621252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNDhuQJeA8d
Name 3,4,5-tri(Dodecyl)aniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 597.621251548 u
Formula C42H79N
InChI InChI=1S/C42H79N/c1-4-7-10-13-16-19-22-25-28-31-34-39-37-41(43)38-40(35-32-29-26-23-20-17-14-11-8-5-2)42(39)36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36,43H2,1-3H3
InChIKey GURQTFKCDBJBOV-UHFFFAOYSA-N
Molecular Weight 598.101 g/mol
SMILES C=1(C(=CC(=CC1CCCCCCCCCCCC)N)CCCCCCCCCCCC)CCCCCCCCCCCC