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isopropyl 2-[({[6-methyl-4-oxo-3-(3-pyridinylmethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4gZKeYayawn
InChI InChI=1S/C27H28N4O4S3/c1-15(2)35-26(34)22-18-8-4-5-9-20(18)38-24(22)29-21(32)14-36-27-30-23-19(11-16(3)37-23)25(33)31(27)13-17-7-6-10-28-12-17/h6-7,10-12,15H,4-5,8-9,13-14H2,1-3H3,(H,29,32)
InChIKey ZRYMFJARUMCUBZ-UHFFFAOYSA-N
Mol Weight 568.73 g/mol
Molecular Formula C27H28N4O4S3
Exact Mass 568.127269 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JaAGRdONbv1
Name isopropyl 2-[({[6-methyl-4-oxo-3-(3-pyridinylmethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)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/C27H28N4O4S3/c1-15(2)35-26(34)22-18-8-4-5-9-20(18)38-24(22)29-21(32)14-36-27-30-23-19(11-16(3)37-23)25(33)31(27)13-17-7-6-10-28-12-17/h6-7,10-12,15H,4-5,8-9,13-14H2,1-3H3,(H,29,32)
InChIKey ZRYMFJARUMCUBZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8061
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/1269543; Labnumber: COL6701; UZI_ID: UZI-008063
Temperature 318 °C