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Benzofurane-3-carboxylic acid, 2-(benzothiazol-2-ylthiomethyl)-5-methoxy-, ethyl ester

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

Benzofurane-3-carboxylic acid, 2-(benzothiazol-2-ylthiomethyl)-5-methoxy-, ethyl ester
SpectraBase Compound ID 1PHe7dLGpnu
InChI InChI=1S/C20H17NO4S2/c1-3-24-19(22)18-13-10-12(23-2)8-9-15(13)25-16(18)11-26-20-21-14-6-4-5-7-17(14)27-20/h4-10H,3,11H2,1-2H3
InChIKey FFMNEWCSBPVBAI-UHFFFAOYSA-N
Mol Weight 399.48 g/mol
Molecular Formula C20H17NO4S2
Exact Mass 399.0599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2lXFebtlxE
Name Benzofurane-3-carboxylic acid, 2-(benzothiazol-2-ylthiomethyl)-5-methoxy-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.059900375 u
Formula C20H17NO4S2
InChI InChI=1S/C20H17NO4S2/c1-3-24-19(22)18-13-10-12(23-2)8-9-15(13)25-16(18)11-26-20-21-14-6-4-5-7-17(14)27-20/h4-10H,3,11H2,1-2H3
InChIKey FFMNEWCSBPVBAI-UHFFFAOYSA-N
Molecular Weight 399.479 g/mol
SMILES C1(=C(OC2=C1C=C(OC)C=C2)CSC1=NC=2C=CC=CC2S1)C(=O)OCC