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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID J1KBRbbzT2Y
InChI InChI=1S/C24H27N3O3S3/c1-2-30-24(29)20-15-8-4-3-5-10-17(15)33-23(20)27-18(28)12-31-21-19-14-9-6-7-11-16(14)32-22(19)26-13-25-21/h13H,2-12H2,1H3,(H,27,28)
InChIKey CIONOFZPNQIJHK-UHFFFAOYSA-N
Mol Weight 501.68 g/mol
Molecular Formula C24H27N3O3S3
Exact Mass 501.121455 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9AegRaCS62H
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl 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/C24H27N3O3S3/c1-2-30-24(29)20-15-8-4-3-5-10-17(15)33-23(20)27-18(28)12-31-21-19-14-9-6-7-11-16(14)32-22(19)26-13-25-21/h13H,2-12H2,1H3,(H,27,28)
InChIKey CIONOFZPNQIJHK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_871
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/11228566