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methyl 2-[(4-bromobenzoyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID J5dR85Sf5fD
InChI InChI=1S/C22H26BrNO3S/c1-5-22(2,3)14-8-11-16-17(12-14)28-20(18(16)21(26)27-4)24-19(25)13-6-9-15(23)10-7-13/h6-7,9-10,14H,5,8,11-12H2,1-4H3,(H,24,25)
InChIKey IMCAXQHVYKBMSS-UHFFFAOYSA-N
Mol Weight 464.42 g/mol
Molecular Formula C22H26BrNO3S
Exact Mass 463.081678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AtD5VfRXavG
Name methyl 2-[(4-bromobenzoyl)amino]-6-tert-pentyl-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/C22H26BrNO3S/c1-5-22(2,3)14-8-11-16-17(12-14)28-20(18(16)21(26)27-4)24-19(25)13-6-9-15(23)10-7-13/h6-7,9-10,14H,5,8,11-12H2,1-4H3,(H,24,25)
InChIKey IMCAXQHVYKBMSS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9556
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/9048422; UBI_ID: UBI-009559
Temperature 318 °C