2-(1-carboxy-1-ethylthio)-6,6-dimethyl-4-oxo-3-phenyl-3,4,5,6-tetrahydro-8H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

SpectraBase Compound ID	5opPQQ14PMx
InChI	InChI=1S/C20H20N2O4S2/c1-11(18(24)25)27-19-21-16-15(13-9-20(2,3)26-10-14(13)28-16)17(23)22(19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,24,25)
InChIKey	XIBPAALIVVVJHR-UHFFFAOYSA-N Google Search
Mol Weight	416.51 g/mol
Molecular Formula	C20H20N2O4S2
Exact Mass	416.086449 g/mol

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SpectraBase Spectrum ID	9NqTLyOVzBn
Name	propanoic acid, 2-[(3,5,6,8-tetrahydro-6,6-dimethyl-4-oxo-3-phenyl-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-
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/C20H20N2O4S2/c1-11(18(24)25)27-19-21-16-15(13-9-20(2,3)26-10-14(13)28-16)17(23)22(19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,24,25)
InChIKey	XIBPAALIVVVJHR-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_5200
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/12218823