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N-dodecanoyl-N'-[2-(trifluoromethyl)phenyl]thiourea

View entire compound with spectra: 2 NMR

N-dodecanoyl-N'-[2-(trifluoromethyl)phenyl]thiourea
SpectraBase Compound ID EeoA1hXCOdI
InChI InChI=1S/C20H29F3N2OS/c1-2-3-4-5-6-7-8-9-10-15-18(26)25-19(27)24-17-14-12-11-13-16(17)20(21,22)23/h11-14H,2-10,15H2,1H3,(H2,24,25,26,27)
InChIKey YTWPGYGRSKHYIV-UHFFFAOYSA-N
Mol Weight 402.52 g/mol
Molecular Formula C20H29F3N2OS
Exact Mass 402.195269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Do7FiZ50Xq
Name N-Dodecanoyl-N'-[2-(trifluoromethyl)phenyl]thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.195269224 u
Formula C20H29F3N2OS
InChI InChI=1S/C20H29F3N2OS/c1-2-3-4-5-6-7-8-9-10-15-18(26)25-19(27)24-17-14-12-11-13-16(17)20(21,22)23/h11-14H,2-10,15H2,1H3,(H2,24,25,26,27)
InChIKey YTWPGYGRSKHYIV-UHFFFAOYSA-N
Molecular Weight 402.520 g/mol
SMILES N(C(NC(=O)CCCCCCCCCCC)=S)C1=C(C(F)(F)F)C=CC=C1