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methyl 2-{[4-(acetyloxy)benzoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID JYn16UmdraT
InChI InChI=1S/C21H23NO5S/c1-13(23)27-15-11-9-14(10-12-15)19(24)22-20-18(21(25)26-2)16-7-5-3-4-6-8-17(16)28-20/h9-12H,3-8H2,1-2H3,(H,22,24)
InChIKey DEBHXMPHPISGDW-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 90kZvp71fRD
Name methyl 2-{[4-(acetyloxy)benzoyl]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/C21H23NO5S/c1-13(23)27-15-11-9-14(10-12-15)19(24)22-20-18(21(25)26-2)16-7-5-3-4-6-8-17(16)28-20/h9-12H,3-8H2,1-2H3,(H,22,24)
InChIKey DEBHXMPHPISGDW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7062
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/8190222; UBI_ID: UBI-007065
Temperature 308 °C