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methyl 2-[(4-toluidinocarbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID KMnT2plhdsQ
InChI InChI=1S/C20H24N2O3S/c1-13-9-11-14(12-10-13)21-20(24)22-18-17(19(23)25-2)15-7-5-3-4-6-8-16(15)26-18/h9-12H,3-8H2,1-2H3,(H2,21,22,24)
InChIKey ACGZKTJLUNTQEW-UHFFFAOYSA-N
Mol Weight 372.48 g/mol
Molecular Formula C20H24N2O3S
Exact Mass 372.150764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DxZPhze8o3Y
Name methyl 2-[(4-toluidinocarbonyl)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/C20H24N2O3S/c1-13-9-11-14(12-10-13)21-20(24)22-18-17(19(23)25-2)15-7-5-3-4-6-8-16(15)26-18/h9-12H,3-8H2,1-2H3,(H2,21,22,24)
InChIKey ACGZKTJLUNTQEW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5871
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/9149470; Labnumber: B_U_ICN/002966; UZI_ID: UZI-005873
Temperature 318 °C