SpectraBase Spectrum ID |
5InupXgltiA |
Name |
benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-, 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/C25H22N2O3S2/c1-30-24(29)17-13-11-16(12-14-17)15-31-25-26-22-21(19-9-5-6-10-20(19)32-22)23(28)27(25)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3 |
InChIKey |
VOTFCSREZQUBFN-UHFFFAOYSA-N |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Origin |
1H_CB_8313_6333 |
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/10266475 |