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2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID GS9DvXJGZuP
InChI InChI=1S/C21H26N2O3S/c1-4-16(26-14-10-9-12(2)13(3)11-14)20(25)23-21-18(19(22)24)15-7-5-6-8-17(15)27-21/h9-11,16H,4-8H2,1-3H3,(H2,22,24)(H,23,25)
InChIKey MDDFYZMQTCIEOL-UHFFFAOYSA-N
Mol Weight 386.51 g/mol
Molecular Formula C21H26N2O3S
Exact Mass 386.166414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EcoWALQQ5Bf
Name 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C21H26N2O3S/c1-4-16(26-14-10-9-12(2)13(3)11-14)20(25)23-21-18(19(22)24)15-7-5-6-8-17(15)27-21/h9-11,16H,4-8H2,1-3H3,(H2,22,24)(H,23,25)
InChIKey MDDFYZMQTCIEOL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29566
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: 1002992; SBI_ID: SBI-029570
Temperature 308 °C