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3-thiophenecarboxylic acid, 5-phenyl-2-[[[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 5-phenyl-2-[[[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID 79LYMM5MQbb
InChI InChI=1S/C27H25N3O4S3/c1-3-13-30-25(32)22-17-11-8-12-19(17)36-24(22)29-27(30)35-15-21(31)28-23-18(26(33)34-4-2)14-20(37-23)16-9-6-5-7-10-16/h3,5-7,9-10,14H,1,4,8,11-13,15H2,2H3,(H,28,31)
InChIKey NUQMKHAXOROTPB-UHFFFAOYSA-N
Mol Weight 551.69 g/mol
Molecular Formula C27H25N3O4S3
Exact Mass 551.10072 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BTL5Nbg3cHe
Name 3-thiophenecarboxylic acid, 5-phenyl-2-[[[[3,5,6,7-tetrahydro-4-oxo-3-(2-propenyl)-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-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/C27H25N3O4S3/c1-3-13-30-25(32)22-17-11-8-12-19(17)36-24(22)29-27(30)35-15-21(31)28-23-18(26(33)34-4-2)14-20(37-23)16-9-6-5-7-10-16/h3,5-7,9-10,14H,1,4,8,11-13,15H2,2H3,(H,28,31)
InChIKey NUQMKHAXOROTPB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1007
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/11228726