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(3-Trifluoromethylphenyl)carbamic acid, 4-methylsulfanylphenyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(3-Trifluoromethylphenyl)carbamic acid, 4-methylsulfanylphenyl ester
SpectraBase Compound ID KPVPsXFTXdg
InChI InChI=1S/C15H12F3NO2S/c1-22-13-7-5-12(6-8-13)21-14(20)19-11-4-2-3-10(9-11)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKey WUYIQQBJRVTAEO-UHFFFAOYSA-N
Mol Weight 327.32 g/mol
Molecular Formula C15H12F3NO2S
Exact Mass 327.054084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxNYI7MTotK
Name (3-Trifluoromethylphenyl)carbamic acid, 4-methylsulfanylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 327.054084291 u
Formula C15H12F3NO2S
InChI InChI=1S/C15H12F3NO2S/c1-22-13-7-5-12(6-8-13)21-14(20)19-11-4-2-3-10(9-11)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKey WUYIQQBJRVTAEO-UHFFFAOYSA-N
Molecular Weight 327.321 g/mol
SMILES C(C1=CC(NC(OC2=CC=C(SC)C=C2)=O)=CC=C1)(F)(F)F