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

*Links on SpectraBase are not permalinks.
benzoic acid, 4-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID LZN5PJImHQm
InChI InChI=1S/C19H17N3O3S2/c1-25-19(24)11-5-7-12(8-6-11)22-15(23)9-26-17-16-13-3-2-4-14(13)27-18(16)21-10-20-17/h5-8,10H,2-4,9H2,1H3,(H,22,23)
InChIKey XLHOPDBZTCCPIG-UHFFFAOYSA-N
Mol Weight 399.48 g/mol
Molecular Formula C19H17N3O3S2
Exact Mass 399.071134 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 6BgJ684u2nc
Name benzoic acid, 4-[[[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, methyl 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/C19H17N3O3S2/c1-25-19(24)11-5-7-12(8-6-11)22-15(23)9-26-17-16-13-3-2-4-14(13)27-18(16)21-10-20-17/h5-8,10H,2-4,9H2,1H3,(H,22,23)
InChIKey XLHOPDBZTCCPIG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1008
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/11228727