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Carbamic acid, [4-[[2-(4-chlorophenyl)-2-oxoethyl]thio]phenyl]-, methyl ester

View entire compound with spectra: 2 NMR

Carbamic acid, [4-[[2-(4-chlorophenyl)-2-oxoethyl]thio]phenyl]-, methyl ester
SpectraBase Compound ID 3u1FDeKyoPv
InChI InChI=1S/C16H14ClNO3S/c1-21-16(20)18-13-6-8-14(9-7-13)22-10-15(19)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3,(H,18,20)
InChIKey CBEIJCVUDUFZLL-UHFFFAOYSA-N
Mol Weight 335.81 g/mol
Molecular Formula C16H14ClNO3S
Exact Mass 335.038292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXKmcEBf8Cw
Name Carbamic acid, [4-[[2-(4-chlorophenyl)-2-oxoethyl]thio]phenyl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.038292186 u
Formula C16H14ClNO3S
InChI InChI=1S/C16H14ClNO3S/c1-21-16(20)18-13-6-8-14(9-7-13)22-10-15(19)11-2-4-12(17)5-3-11/h2-9H,10H2,1H3,(H,18,20)
InChIKey CBEIJCVUDUFZLL-UHFFFAOYSA-N
Molecular Weight 335.805 g/mol
SMILES N(C(=O)OC)C=1C=CC(SCC(C2=CC=C(C=C2)Cl)=O)=CC1