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methyl 5-[(diethylamino)carbonyl]-2-({3-[(3-{[5-[(diethylamino)carbonyl]-3-(methoxycarbonyl)-4-methyl-2-thienyl]amino}-3-oxopropyl)sulfanyl]propanoyl}amino)-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID D8AX6CIPSVk
InChI InChI=1S/C30H42N4O8S3/c1-9-33(10-2)27(37)23-17(5)21(29(39)41-7)25(44-23)31-19(35)13-15-43-16-14-20(36)32-26-22(30(40)42-8)18(6)24(45-26)28(38)34(11-3)12-4/h9-16H2,1-8H3,(H,31,35)(H,32,36)
InChIKey GHMDTYORQYXNIF-UHFFFAOYSA-N
Mol Weight 682.9 g/mol
Molecular Formula C30H42N4O8S3
Exact Mass 682.216478 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F7Sij8xIzok
Name methyl 5-[(diethylamino)carbonyl]-2-({3-[(3-{[5-[(diethylamino)carbonyl]-3-(methoxycarbonyl)-4-methyl-2-thienyl]amino}-3-oxopropyl)sulfanyl]propanoyl}amino)-4-methyl-3-thiophenecarboxylate
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/C30H42N4O8S3/c1-9-33(10-2)27(37)23-17(5)21(29(39)41-7)25(44-23)31-19(35)13-15-43-16-14-20(36)32-26-22(30(40)42-8)18(6)24(45-26)28(38)34(11-3)12-4/h9-16H2,1-8H3,(H,31,35)(H,32,36)
InChIKey GHMDTYORQYXNIF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16467
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/8121050; UBI_ID: UBI-016470
Temperature 318 °C