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methyl 2-{[(2,4-dimethylphenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CqE5z6vC81V
InChI InChI=1S/C21H25NO4S/c1-12-6-8-16(14(3)9-12)26-11-18(23)22-20-19(21(24)25-4)15-7-5-13(2)10-17(15)27-20/h6,8-9,13H,5,7,10-11H2,1-4H3,(H,22,23)
InChIKey IAKNSOKDAMFJLO-UHFFFAOYSA-N
Mol Weight 387.49 g/mol
Molecular Formula C21H25NO4S
Exact Mass 387.150429 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQkEIVyJGTh
Name methyl 2-{[(2,4-dimethylphenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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/C21H25NO4S/c1-12-6-8-16(14(3)9-12)26-11-18(23)22-20-19(21(24)25-4)15-7-5-13(2)10-17(15)27-20/h6,8-9,13H,5,7,10-11H2,1-4H3,(H,22,23)
InChIKey IAKNSOKDAMFJLO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7742
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/1269850; Labnumber: COL5990; UZI_ID: UZI-007744
Temperature 318 °C