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Thiocyanic acid, 2-[(4-methoxyphenyl)sulfonyl]-1-phenylethyl ester

View entire compound with spectra: 2 NMR

Thiocyanic acid, 2-[(4-methoxyphenyl)sulfonyl]-1-phenylethyl ester
SpectraBase Compound ID 8Kvip8rN4U5
InChI InChI=1S/C16H15NO3S2/c1-20-14-7-9-15(10-8-14)22(18,19)11-16(21-12-17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKey LCQDEWAQDZFVMJ-UHFFFAOYSA-N
Mol Weight 333.42 g/mol
Molecular Formula C16H15NO3S2
Exact Mass 333.049336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWJqWj8F5rp
Name Thiocyanic acid, 2-[(4-methoxyphenyl)sulfonyl]-1-phenylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.049335692 u
Formula C16H15NO3S2
InChI InChI=1S/C16H15NO3S2/c1-20-14-7-9-15(10-8-14)22(18,19)11-16(21-12-17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKey LCQDEWAQDZFVMJ-UHFFFAOYSA-N
Molecular Weight 333.420 g/mol
SMILES C1=CC=C(C(CS(C=2C=CC(=CC2)OC)(=O)=O)SC#N)C=C1