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Dodecanamide, N-[6-[(4,6-dimethyl-2-pyrimidinyl)amino]hexyl]-N-[3-[(3-methyl-1-oxo-2-butenyl)amino]propyl]-
SpectraBase Compound ID Gv0qonER3g6
InChI InChI=1S/C32H57N5O2/c1-6-7-8-9-10-11-12-13-16-20-31(39)37(24-19-22-33-30(38)25-27(2)3)23-18-15-14-17-21-34-32-35-28(4)26-29(5)36-32/h25-26H,6-24H2,1-5H3,(H,33,38)(H,34,35,36)
InChIKey MRBSOJDAPCUEKP-UHFFFAOYSA-N
Mol Weight 543.8 g/mol
Molecular Formula C32H57N5O2
Exact Mass 543.451226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NCjZujEnU4
Name Dodecanamide, N-[6-[(4,6-dimethyl-2-pyrimidinyl)amino]hexyl]-N-[3-[(3-methyl-1-oxo-2-butenyl)amino]propyl]-
Alternate Name(s) N-[-(4,6-dimethylpyrimidin-2-ylamino)ethyl]-N-[3-(3-methylbut-2-enamodo)propyl]-dodecanamide N-{3-[{6-[(4,6-dimethyl-2-pyrimidinyl)amino]hexyl}(dodecanoyl)amino]propyl}-3-methyl-2-butenamide
CAS Registry Number 106491-19-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H57N5O2
InChI InChI=1S/C32H57N5O2/c1-6-7-8-9-10-11-12-13-16-20-31(39)37(24-19-22-33-30(38)25-27(2)3)23-18-15-14-17-21-34-32-35-28(4)26-29(5)36-32/h25-26H,6-24H2,1-5H3,(H,33,38)(H,34,35,36)
InChIKey MRBSOJDAPCUEKP-UHFFFAOYSA-N
Molecular Weight 543.841 g/mol
SMILES N(c1nc(C)cc(n1)C)CCCCCCN(CCCNC(C=C(C)C)=O)C(=O)CCCCCCCCCCC
SPLASH splash10-000f-0900100000-76e0e5e72482de74162d
Source of Spectrum B-39-455-13
Wiley ID 1404960