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ethyl 6-tert-pentyl-2-[(2-pyrazinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FcRRIqiVAkH
InChI InChI=1S/C21H27N3O3S/c1-5-21(3,4)13-7-8-14-16(11-13)28-19(17(14)20(26)27-6-2)24-18(25)15-12-22-9-10-23-15/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)
InChIKey VWVQMTBGXICUNI-UHFFFAOYSA-N
Mol Weight 401.53 g/mol
Molecular Formula C21H27N3O3S
Exact Mass 401.177313 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 79BWhLtcE8m
Name ethyl 6-tert-pentyl-2-[(2-pyrazinylcarbonyl)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/C21H27N3O3S/c1-5-21(3,4)13-7-8-14-16(11-13)28-19(17(14)20(26)27-6-2)24-18(25)15-12-22-9-10-23-15/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)
InChIKey VWVQMTBGXICUNI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19739
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/9149221; UBI_ID: UBI-019743
Temperature 318 °C