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methyl 2-{[(4-bromophenyl)sulfonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID 2f6Qspl3HEO
InChI InChI=1S/C18H20BrNO4S2/c1-24-18(21)16-14-6-4-2-3-5-7-15(14)25-17(16)20-26(22,23)13-10-8-12(19)9-11-13/h8-11,20H,2-7H2,1H3
InChIKey DUVPHVZAPWYYMG-UHFFFAOYSA-N
Mol Weight 458.39 g/mol
Molecular Formula C18H20BrNO4S2
Exact Mass 457.001713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 51DhREKKajH
Name methyl 2-{[(4-bromophenyl)sulfonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[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/C18H20BrNO4S2/c1-24-18(21)16-14-6-4-2-3-5-7-15(14)25-17(16)20-26(22,23)13-10-8-12(19)9-11-13/h8-11,20H,2-7H2,1H3
InChIKey DUVPHVZAPWYYMG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17594
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/9061694; UBI_ID: UBI-017597
Temperature 318 °C