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ethanediamide, N~1~-dodecyl-N~2~-[3-(trifluoromethyl)phenyl]-

View entire compound with spectra: 2 NMR

ethanediamide, N~1~-dodecyl-N~2~-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 27tw7zQbESs
InChI InChI=1S/C21H31F3N2O2/c1-2-3-4-5-6-7-8-9-10-11-15-25-19(27)20(28)26-18-14-12-13-17(16-18)21(22,23)24/h12-14,16H,2-11,15H2,1H3,(H,25,27)(H,26,28)
InChIKey ATCVOUHOYSWSCR-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H31F3N2O2
Exact Mass 400.233763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIeeWylpicU
Name Ethanediamide, N~1~-dodecyl-N~2~-[3-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.233762733 u
Formula C21H31F3N2O2
InChI InChI=1S/C21H31F3N2O2/c1-2-3-4-5-6-7-8-9-10-11-15-25-19(27)20(28)26-18-14-12-13-17(16-18)21(22,23)24/h12-14,16H,2-11,15H2,1H3,(H,25,27)(H,26,28)
InChIKey ATCVOUHOYSWSCR-UHFFFAOYSA-N
Molecular Weight 400.486 g/mol
SMILES N(C(C(=O)NCCCCCCCCCCCC)=O)C=1C=C(C(F)(F)F)C=CC1