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ethyl 2-{[(3,6-dichloro-1-benzothien-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2auzIqF9o33
InChI InChI=1S/C21H19Cl2NO3S2/c1-3-27-21(26)16-12-6-4-10(2)8-14(12)29-20(16)24-19(25)18-17(23)13-7-5-11(22)9-15(13)28-18/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,24,25)
InChIKey QVRPMSBEJHSRPF-UHFFFAOYSA-N
Mol Weight 468.41 g/mol
Molecular Formula C21H19Cl2NO3S2
Exact Mass 467.018341 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GjwBZXSwdeh
Name ethyl 2-{[(3,6-dichloro-1-benzothien-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H19Cl2NO3S2/c1-3-27-21(26)16-12-6-4-10(2)8-14(12)29-20(16)24-19(25)18-17(23)13-7-5-11(22)9-15(13)28-18/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,24,25)
InChIKey QVRPMSBEJHSRPF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18337
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9121941; UBI_ID: UBI-018340
Temperature 308 °C