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2-(3-Benzoxy-4-methoxy-phenyl)-2-(dimethylthiocarbamoylthio)acetic acid methyl ester

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

2-(3-Benzoxy-4-methoxy-phenyl)-2-(dimethylthiocarbamoylthio)acetic acid methyl ester
SpectraBase Compound ID Bg8krMNb1Rv
InChI InChI=1S/C20H23NO4S2/c1-21(2)20(26)27-18(19(22)24-4)15-10-11-16(23-3)17(12-15)25-13-14-8-6-5-7-9-14/h5-12,18H,13H2,1-4H3
InChIKey IBGGYUXZALBWPK-UHFFFAOYSA-N
Mol Weight 405.53 g/mol
Molecular Formula C20H23NO4S2
Exact Mass 405.106851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42bbHOpJJnW
Name 2-(3-Benzoxy-4-methoxy-phenyl)-2-(dimethylthiocarbamoylthio)acetic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.106850569 u
Formula C20H23NO4S2
InChI InChI=1S/C20H23NO4S2/c1-21(2)20(26)27-18(19(22)24-4)15-10-11-16(23-3)17(12-15)25-13-14-8-6-5-7-9-14/h5-12,18H,13H2,1-4H3
InChIKey IBGGYUXZALBWPK-UHFFFAOYSA-N
Molecular Weight 405.527 g/mol
SMILES C(SC(C1=CC(OCC=2C=CC=CC2)=C(C=C1)OC)C(=O)OC)(=S)N(C)C