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N-benzoyl-N'-trifluoroacetyl-1,12-diaminododecane
SpectraBase Compound ID H5bLACrXCJL
InChI InChI=1S/C21H31F3N2O2/c22-21(23,24)20(28)26-17-13-8-6-4-2-1-3-5-7-12-16-25-19(27)18-14-10-9-11-15-18/h9-11,14-15H,1-8,12-13,16-17H2,(H,25,27)(H,26,28)
InChIKey BSVDIATWTUNMIO-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H31F3N2O2
Exact Mass 400.233763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rItFEJIWM8
Name N-benzoyl-N'-trifluoroacetyl-1,12-diaminododecane
Alternate Name(s) N-(12-(2,2,2-trifluoroacetamido)dodecyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31F3N2O2
InChI InChI=1S/C21H31F3N2O2/c22-21(23,24)20(28)26-17-13-8-6-4-2-1-3-5-7-12-16-25-19(27)18-14-10-9-11-15-18/h9-11,14-15H,1-8,12-13,16-17H2,(H,25,27)(H,26,28)
InChIKey BSVDIATWTUNMIO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ijch.197800044
Molecular Weight 400.486 g/mol
SMILES N(CCCCCCCCCCCCNC(=O)C(F)(F)F)C(c1ccccc1)=O
SPLASH splash10-066s-4901000000-b3274a198338a0f50000
Source of Spectrum TI-17-251-9e
Wiley ID 1806578