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benzo[b]thiophene-3-carboxylic acid, 2-[[[(2,4-dichlorobenzoyl)amino]carbonothioyl]amino]-4,5,6,7-tetrahydro-, methyl ester

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

benzo[b]thiophene-3-carboxylic acid, 2-[[[(2,4-dichlorobenzoyl)amino]carbonothioyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID Lkw8PVZHE5P
InChI InChI=1S/C18H16Cl2N2O3S2/c1-25-17(24)14-11-4-2-3-5-13(11)27-16(14)22-18(26)21-15(23)10-7-6-9(19)8-12(10)20/h6-8H,2-5H2,1H3,(H2,21,22,23,26)
InChIKey VAQUXSQUWWRCKU-UHFFFAOYSA-N
Mol Weight 443.36 g/mol
Molecular Formula C18H16Cl2N2O3S2
Exact Mass 441.99794 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BJOchRHCFxx
Name benzo[b]thiophene-3-carboxylic acid, 2-[[[(2,4-dichlorobenzoyl)amino]carbonothioyl]amino]-4,5,6,7-tetrahydro-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.997940128 u
Formula C18H16Cl2N2O3S2
InChI InChI=1S/C18H16Cl2N2O3S2/c1-25-17(24)14-11-4-2-3-5-13(11)27-16(14)22-18(26)21-15(23)10-7-6-9(19)8-12(10)20/h6-8H,2-5H2,1H3,(H2,21,22,23,26)
InChIKey VAQUXSQUWWRCKU-UHFFFAOYSA-N
Molecular Weight 443.363 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5340
Solvent DMSO-d6
Source Vendor ID: NMR/9312849; Lab Info: AU; Lab Number: AU-EC00954