For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID 3LdU8FC4qEJ
InChI InChI=1S/C27H29N3O3S3/c1-7-33-26(32)22-19(17-8-10-18(11-9-17)27(4,5)6)12-34-25(22)30-20(31)13-35-23-21-15(2)16(3)36-24(21)29-14-28-23/h8-12,14H,7,13H2,1-6H3,(H,30,31)
InChIKey PWCBDAACTWJFSI-UHFFFAOYSA-N
Mol Weight 539.73 g/mol
Molecular Formula C27H29N3O3S3
Exact Mass 539.137105 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ti5ai85sQP
Name 3-thiophenecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-2-[[[(5,6-dimethylthieno[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/C27H29N3O3S3/c1-7-33-26(32)22-19(17-8-10-18(11-9-17)27(4,5)6)12-34-25(22)30-20(31)13-35-23-21-15(2)16(3)36-24(21)29-14-28-23/h8-12,14H,7,13H2,1-6H3,(H,30,31)
InChIKey PWCBDAACTWJFSI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_975
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/11228688