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methyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID FXto7Ykf2dE
InChI InChI=1S/C18H21NO4S2/c1-12-8-10-13(11-9-12)25(21,22)19-17-16(18(20)23-2)14-6-4-3-5-7-15(14)24-17/h8-11,19H,3-7H2,1-2H3
InChIKey IAGJSJCAEDTWCY-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 2GIMkxprJhU
Name methyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/c1-12-8-10-13(11-9-12)25(21,22)19-17-16(18(20)23-2)14-6-4-3-5-7-15(14)24-17/h8-11,19H,3-7H2,1-2H3
InChIKey IAGJSJCAEDTWCY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17298
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/9050266; UBI_ID: UBI-017301
Temperature 318 °C