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2,6-Dibromo-3,4,5-tridodecylaniline

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2,6-Dibromo-3,4,5-tridodecylaniline
SpectraBase Compound ID GjcLrG1eJlV
InChI InChI=1S/C42H77Br2N/c1-4-7-10-13-16-19-22-25-28-31-34-37-38(35-32-29-26-23-20-17-14-11-8-5-2)40(43)42(45)41(44)39(37)36-33-30-27-24-21-18-15-12-9-6-3/h4-36,45H2,1-3H3
InChIKey UAWSGYROZXFJRC-UHFFFAOYSA-N
Mol Weight 755.9 g/mol
Molecular Formula C42H77Br2N
Exact Mass 753.442277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qU1ephVgGN
Name 2,6-Dibromo-3,4,5-tri(dodecyl)aniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 753.442277483 u
Formula C42H77Br2N
InChI InChI=1S/C42H77Br2N/c1-4-7-10-13-16-19-22-25-28-31-34-37-38(35-32-29-26-23-20-17-14-11-8-5-2)40(43)42(45)41(44)39(37)36-33-30-27-24-21-18-15-12-9-6-3/h4-36,45H2,1-3H3
InChIKey UAWSGYROZXFJRC-UHFFFAOYSA-N
Molecular Weight 755.893 g/mol
SMILES C=1(C(=C(CCCCCCCCCCCC)C(=C(C1Br)CCCCCCCCCCCC)CCCCCCCCCCCC)Br)N