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methyl 6-methyl-2-{[(4-methylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 3rSVy7fXX79
InChI InChI=1S/C18H21NO4S2/c1-11-4-7-13(8-5-11)25(21,22)19-17-16(18(20)23-3)14-9-6-12(2)10-15(14)24-17/h4-5,7-8,12,19H,6,9-10H2,1-3H3
InChIKey ICYLYWQHTRKZIC-UHFFFAOYSA-N
Mol Weight 379.49 g/mol
Molecular Formula C18H21NO4S2
Exact Mass 379.091201 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HW5kqoVXCb6
Name methyl 6-methyl-2-{[(4-methylphenyl)sulfonyl]amino}-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/C18H21NO4S2/c1-11-4-7-13(8-5-11)25(21,22)19-17-16(18(20)23-3)14-9-6-12(2)10-15(14)24-17/h4-5,7-8,12,19H,6,9-10H2,1-3H3
InChIKey ICYLYWQHTRKZIC-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16818
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/8184623; UBI_ID: UBI-016821
Temperature 313 °C