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3-thiophenecarboxylic acid, 2-[[[[3,4,5,6,7,8-hexahydro-7-methyl-4-oxo-3-(2-propenyl)benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-4-(4-methoxyphenyl)-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 2-[[[[3,4,5,6,7,8-hexahydro-7-methyl-4-oxo-3-(2-propenyl)benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-4-(4-methoxyphenyl)-, ethyl ester
SpectraBase Compound ID 5bC4h7y9jWZ
InChI InChI=1S/C30H31N3O5S3/c1-5-13-33-28(35)24-20-12-7-17(3)14-22(20)41-27(24)32-30(33)40-16-23(34)31-26-25(29(36)38-6-2)21(15-39-26)18-8-10-19(37-4)11-9-18/h5,8-11,15,17H,1,6-7,12-14,16H2,2-4H3,(H,31,34)
InChIKey BFPPSYYVZSMNFP-UHFFFAOYSA-N
Mol Weight 609.77 g/mol
Molecular Formula C30H31N3O5S3
Exact Mass 609.142585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5r4HkY7lfag
Name 3-thiophenecarboxylic acid, 2-[[[[3,4,5,6,7,8-hexahydro-7-methyl-4-oxo-3-(2-propenyl)benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-4-(4-methoxyphenyl)-, 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/C30H31N3O5S3/c1-5-13-33-28(35)24-20-12-7-17(3)14-22(20)41-27(24)32-30(33)40-16-23(34)31-26-25(29(36)38-6-2)21(15-39-26)18-8-10-19(37-4)11-9-18/h5,8-11,15,17H,1,6-7,12-14,16H2,2-4H3,(H,31,34)
InChIKey BFPPSYYVZSMNFP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_686
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/11228352