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methyl 2-{[(4-bromophenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 5KJ5YRusUak
InChI InChI=1S/C18H18BrNO3S/c1-23-18(22)16-13-4-2-3-5-14(13)24-17(16)20-15(21)10-11-6-8-12(19)9-7-11/h6-9H,2-5,10H2,1H3,(H,20,21)
InChIKey BCEWUGFTKYAIED-UHFFFAOYSA-N
Mol Weight 408.31 g/mol
Molecular Formula C18H18BrNO3S
Exact Mass 407.019078 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cgi8ksStFzJ
Name methyl 2-{[(4-bromophenyl)acetyl]amino}-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/C18H18BrNO3S/c1-23-18(22)16-13-4-2-3-5-14(13)24-17(16)20-15(21)10-11-6-8-12(19)9-7-11/h6-9H,2-5,10H2,1H3,(H,20,21)
InChIKey BCEWUGFTKYAIED-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19769
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/9161631; Labnumber: U_AM_ACK/013310; UZI_ID: UZI-019777
Temperature 318 °C