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3-thiophenecarboxylic acid, 5-phenyl-2-[[[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl ester

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3-thiophenecarboxylic acid, 5-phenyl-2-[[[(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID aYQjiYDjIf
InChI InChI=1S/C25H23N3O3S3/c1-2-31-25(30)17-12-19(15-8-4-3-5-9-15)34-22(17)28-20(29)13-32-23-21-16-10-6-7-11-18(16)33-24(21)27-14-26-23/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3,(H,28,29)
InChIKey MIXHHIFZLLIIDW-UHFFFAOYSA-N
Mol Weight 509.66 g/mol
Molecular Formula C25H23N3O3S3
Exact Mass 509.090155 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EKexTu3pBud
Name 3-thiophenecarboxylic acid, 5-phenyl-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/C25H23N3O3S3/c1-2-31-25(30)17-12-19(15-8-4-3-5-9-15)34-22(17)28-20(29)13-32-23-21-16-10-6-7-11-18(16)33-24(21)27-14-26-23/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3,(H,28,29)
InChIKey MIXHHIFZLLIIDW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1034
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/11228759