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ethyl 6-tert-butyl-2-({[6-({[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-3-pyridinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID DX1MlCWryYj
InChI InChI=1S/C37H47N3O6S2/c1-9-45-34(43)28-23-14-12-21(36(3,4)5)17-26(23)47-32(28)39-30(41)20-11-16-25(38-19-20)31(42)40-33-29(35(44)46-10-2)24-15-13-22(37(6,7)8)18-27(24)48-33/h11,16,19,21-22H,9-10,12-15,17-18H2,1-8H3,(H,39,41)(H,40,42)
InChIKey JKJGRGZRPXJMLN-UHFFFAOYSA-N
Mol Weight 693.9 g/mol
Molecular Formula C37H47N3O6S2
Exact Mass 693.290629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 22KFiOBKhDN
Name ethyl 6-tert-butyl-2-({[6-({[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-3-pyridinyl]carbonyl}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/C37H47N3O6S2/c1-9-45-34(43)28-23-14-12-21(36(3,4)5)17-26(23)47-32(28)39-30(41)20-11-16-25(38-19-20)31(42)40-33-29(35(44)46-10-2)24-15-13-22(37(6,7)8)18-27(24)48-33/h11,16,19,21-22H,9-10,12-15,17-18H2,1-8H3,(H,39,41)(H,40,42)
InChIKey JKJGRGZRPXJMLN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9865
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/9060577; UBI_ID: UBI-009868
Temperature 318 °C