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2-[(4,6-dihydroxy-2-pyrimidinyl)sulfanyl]-1-(1H-indol-3-yl)ethanone
SpectraBase Compound ID 4CCDByShX0b
InChI InChI=1S/C14H11N3O3S/c18-11(7-21-14-16-12(19)5-13(20)17-14)9-6-15-10-4-2-1-3-8(9)10/h1-6,15H,7H2,(H2,16,17,19,20)
InChIKey TZNQICICOBQVNI-UHFFFAOYSA-N
Mol Weight 301.32 g/mol
Molecular Formula C14H11N3O3S
Exact Mass 301.052112 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4iErTVDG14E
Name 2-[(4,6-dihydroxy-2-pyrimidinyl)sulfanyl]-1-(1H-indol-3-yl)ethanone
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/C14H11N3O3S/c18-11(7-21-14-16-12(19)5-13(20)17-14)9-6-15-10-4-2-1-3-8(9)10/h1-6,15H,7H2,(H2,16,17,19,20)
InChIKey TZNQICICOBQVNI-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_1987
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: ZI/9044738; Labnumber: MIH-0000845