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

View entire compound with spectra: 1 NMR

4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[3,4-dihydro-4-oxo-6-phenyl-3-(2-propenyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester
SpectraBase Compound ID 1p4DeWCTqQw
InChI InChI=1S/C29H29N3O4S3/c1-3-15-32-27(34)20-16-22(18-11-7-5-8-12-18)39-25(20)31-29(32)37-17-23(33)30-26-24(28(35)36-4-2)19-13-9-6-10-14-21(19)38-26/h3,5,7-8,11-12,16H,1,4,6,9-10,13-15,17H2,2H3,(H,30,33)
InChIKey QTGHAHDSVOTURT-UHFFFAOYSA-N
Mol Weight 579.75 g/mol
Molecular Formula C29H29N3O4S3
Exact Mass 579.13202 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A0R45jyZFZV
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[[[3,4-dihydro-4-oxo-6-phenyl-3-(2-propenyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-, 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/C29H29N3O4S3/c1-3-15-32-27(34)20-16-22(18-11-7-5-8-12-18)39-25(20)31-29(32)37-17-23(33)30-26-24(28(35)36-4-2)19-13-9-6-10-14-21(19)38-26/h3,5,7-8,11-12,16H,1,4,6,9-10,13-15,17H2,2H3,(H,30,33)
InChIKey QTGHAHDSVOTURT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1023
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/11228745