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benzo[b]thiophene-3-carboxylic acid, 2-[[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID JlNsZGsOuHx
InChI InChI=1S/C20H21N3O3S3/c1-10-11(2)28-18-15(10)17(21-9-22-18)27-8-14(24)23-19-16(20(25)26-3)12-6-4-5-7-13(12)29-19/h9H,4-8H2,1-3H3,(H,23,24)
InChIKey QVOMIPFILQZNPZ-UHFFFAOYSA-N
Mol Weight 447.59 g/mol
Molecular Formula C20H21N3O3S3
Exact Mass 447.074505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CfbTfC2iT4g
Name benzo[b]thiophene-3-carboxylic acid, 2-[[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydro-, methyl ester
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/C20H21N3O3S3/c1-10-11(2)28-18-15(10)17(21-9-22-18)27-8-14(24)23-19-16(20(25)26-3)12-6-4-5-7-13(12)29-19/h9H,4-8H2,1-3H3,(H,23,24)
InChIKey QVOMIPFILQZNPZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_973
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: NMR/11228686