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methyl 2-{[3-(4-methoxyphenyl)propanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID Gpcd2WXoCyB
InChI InChI=1S/C22H27NO4S/c1-26-16-12-9-15(10-13-16)11-14-19(24)23-21-20(22(25)27-2)17-7-5-3-4-6-8-18(17)28-21/h9-10,12-13H,3-8,11,14H2,1-2H3,(H,23,24)
InChIKey PTRLQILIVBNPMD-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQoMH2TyYN5
Name methyl 2-{[3-(4-methoxyphenyl)propanoyl]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/C22H27NO4S/c1-26-16-12-9-15(10-13-16)11-14-19(24)23-21-20(22(25)27-2)17-7-5-3-4-6-8-18(17)28-21/h9-10,12-13H,3-8,11,14H2,1-2H3,(H,23,24)
InChIKey PTRLQILIVBNPMD-UHFFFAOYSA-N
NMR Offset 14.4773
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_12644
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/8024178; Labnumber: NSB0010870; UZI_ID: UZI-012648
Temperature 313 °C