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alpha-(Dihexadecylamino)-m-toluamidine

View entire compound with spectra: 2 NMR, and 1 FTIR

alpha-(Dihexadecylamino)-m-toluamidine
SpectraBase Compound ID Lcc3uEWSA0Y
InChI InChI=1S/C40H75N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-43(37-38-32-31-33-39(36-38)40(41)42)35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36H,3-30,34-35,37H2,1-2H3,(H3,41,42)
InChIKey RAJJRLAPBSGDIB-UHFFFAOYSA-N
Mol Weight 598.1 g/mol
Molecular Formula C40H75N3
Exact Mass 597.596099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90znj86mYL6
Name alpha-(Dihexadecylamino)-m-toluamidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 597.596099427 u
Formula C40H75N3
InChI InChI=1S/C40H75N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-43(37-38-32-31-33-39(36-38)40(41)42)35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36H,3-30,34-35,37H2,1-2H3,(H3,41,42)
InChIKey RAJJRLAPBSGDIB-UHFFFAOYSA-N
Molecular Weight 598.061 g/mol
SMILES NC(C1=CC(=CC=C1)CN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)=N