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N-benzyl-2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SpectraBase Compound ID 6XTyafceZwL
InChI InChI=1S/C30H36N2O3S/c1-4-25(35-23-17-16-20(2)21(3)18-23)28(33)32-30-27(24-14-10-5-6-11-15-26(24)36-30)29(34)31-19-22-12-8-7-9-13-22/h7-9,12-13,16-18,25H,4-6,10-11,14-15,19H2,1-3H3,(H,31,34)(H,32,33)
InChIKey DKBLNOXTFPBMAF-UHFFFAOYSA-N
Mol Weight 504.7 g/mol
Molecular Formula C30H36N2O3S
Exact Mass 504.244664 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7QSVQoYUh3y
Name N-benzyl-2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
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/C30H36N2O3S/c1-4-25(35-23-17-16-20(2)21(3)18-23)28(33)32-30-27(24-14-10-5-6-11-15-26(24)36-30)29(34)31-19-22-12-8-7-9-13-22/h7-9,12-13,16-18,25H,4-6,10-11,14-15,19H2,1-3H3,(H,31,34)(H,32,33)
InChIKey DKBLNOXTFPBMAF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7776
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/1268415; Labnumber: COL6097; UZI_ID: UZI-007778
Temperature 318 °C