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methyl 2-[(2-ethylbutanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Ctqhlf3PUZF
InChI InChI=1S/C17H25NO3S/c1-5-11(6-2)15(19)18-16-14(17(20)21-4)12-8-7-10(3)9-13(12)22-16/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKey ADTRHLSWUZXDRI-UHFFFAOYSA-N
Mol Weight 323.45 g/mol
Molecular Formula C17H25NO3S
Exact Mass 323.155515 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6PEr1qOdGDC
Name methyl 2-[(2-ethylbutanoyl)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/C17H25NO3S/c1-5-11(6-2)15(19)18-16-14(17(20)21-4)12-8-7-10(3)9-13(12)22-16/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKey ADTRHLSWUZXDRI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17477
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/9056760; UBI_ID: UBI-017480
Temperature 318 °C