phenylalanine, N-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-

SpectraBase Compound ID	47p1bBURmYr
InChI	InChI=1S/C19H19N3O3S2/c1-11-12(2)27-18-16(11)17(20-10-21-18)26-9-15(23)22-14(19(24)25)8-13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey	XZKHYMXWJYKUIT-UHFFFAOYSA-N Google Search
Mol Weight	401.5 g/mol
Molecular Formula	C19H19N3O3S2
Exact Mass	401.086784 g/mol

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SpectraBase Spectrum ID	EkFbjUk4P7q
Name	phenylalanine, N-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-
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/C19H19N3O3S2/c1-11-12(2)27-18-16(11)17(20-10-21-18)26-9-15(23)22-14(19(24)25)8-13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey	XZKHYMXWJYKUIT-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_405
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/11228027