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ethyl 2-({[(4-methyl-2-pyrimidinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Haqypg7ovsF
InChI InChI=1S/C18H21N3O3S2/c1-3-24-17(23)15-12-6-4-5-7-13(12)26-16(15)21-14(22)10-25-18-19-9-8-11(2)20-18/h8-9H,3-7,10H2,1-2H3,(H,21,22)
InChIKey UNRLJUACVJPXGT-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C18H21N3O3S2
Exact Mass 391.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IaIAibbOXkZ
Name ethyl 2-({[(4-methyl-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/C18H21N3O3S2/c1-3-24-17(23)15-12-6-4-5-7-13(12)26-16(15)21-14(22)10-25-18-19-9-8-11(2)20-18/h8-9H,3-7,10H2,1-2H3,(H,21,22)
InChIKey UNRLJUACVJPXGT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7542
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: D48093; Labnumber: SPDEM5-39783; SBI_ID: SBI-007545
Temperature 318 °C