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ethyl 2-[({[4-(2-furyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID L1Pi2LRXL8K
InChI InChI=1S/C21H21N3O4S2/c1-2-27-20(26)18-13-6-3-4-8-16(13)30-19(18)24-17(25)12-29-21-22-10-9-14(23-21)15-7-5-11-28-15/h5,7,9-11H,2-4,6,8,12H2,1H3,(H,24,25)
InChIKey SOWBBMHLOXISKF-UHFFFAOYSA-N
Mol Weight 443.54 g/mol
Molecular Formula C21H21N3O4S2
Exact Mass 443.097349 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HMokgSwrBLo
Name ethyl 2-[({[4-(2-furyl)-2-pyrimidinyl]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/C21H21N3O4S2/c1-2-27-20(26)18-13-6-3-4-8-16(13)30-19(18)24-17(25)12-29-21-22-10-9-14(23-21)15-7-5-11-28-15/h5,7,9-11H,2-4,6,8,12H2,1H3,(H,24,25)
InChIKey SOWBBMHLOXISKF-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10296
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/1265967; Labnumber: KEM0274; UZI_ID: UZI-010298
Temperature 308 °C