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methyl 2-{[4-({[3-(methoxycarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)benzoyl]amino}-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EpJgR9HyQUW
InChI InChI=1S/C38H48N2O6S2/c1-9-37(3,4)23-15-17-25-27(19-23)47-33(29(25)35(43)45-7)39-31(41)21-11-13-22(14-12-21)32(42)40-34-30(36(44)46-8)26-18-16-24(20-28(26)48-34)38(5,6)10-2/h11-14,23-24H,9-10,15-20H2,1-8H3,(H,39,41)(H,40,42)
InChIKey MZJFPKZILOHYIE-UHFFFAOYSA-N
Mol Weight 692.9 g/mol
Molecular Formula C38H48N2O6S2
Exact Mass 692.29538 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ri3ND9UT1C
Name methyl 2-{[4-({[3-(methoxycarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)benzoyl]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/C38H48N2O6S2/c1-9-37(3,4)23-15-17-25-27(19-23)47-33(29(25)35(43)45-7)39-31(41)21-11-13-22(14-12-21)32(42)40-34-30(36(44)46-8)26-18-16-24(20-28(26)48-34)38(5,6)10-2/h11-14,23-24H,9-10,15-20H2,1-8H3,(H,39,41)(H,40,42)
InChIKey MZJFPKZILOHYIE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8129
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/9024517; UBI_ID: UBI-008132
Temperature 318 °C