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S-dodecyl 2-(trifluoromethyl)phenylthiocarbamate

View entire compound with spectra: 2 NMR

S-dodecyl 2-(trifluoromethyl)phenylthiocarbamate
SpectraBase Compound ID 6mS7Bsqaw4E
InChI InChI=1S/C20H30F3NOS/c1-2-3-4-5-6-7-8-9-10-13-16-26-19(25)24-18-15-12-11-14-17(18)20(21,22)23/h11-12,14-15H,2-10,13,16H2,1H3,(H,24,25)
InChIKey YXOJENLUSYMTDM-UHFFFAOYSA-N
Mol Weight 389.52 g/mol
Molecular Formula C20H30F3NOS
Exact Mass 389.20002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPVEB6p3TkH
Name S-Dodecyl 2-(trifluoromethyl)phenylthiocarbamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.200020252 u
Formula C20H30F3NOS
InChI InChI=1S/C20H30F3NOS/c1-2-3-4-5-6-7-8-9-10-13-16-26-19(25)24-18-15-12-11-14-17(18)20(21,22)23/h11-12,14-15H,2-10,13,16H2,1H3,(H,24,25)
InChIKey YXOJENLUSYMTDM-UHFFFAOYSA-N
Molecular Weight 389.521 g/mol
SMILES N(C(=O)SCCCCCCCCCCCC)C1=C(C(F)(F)F)C=CC=C1