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1-(3,4-Dihydroxyphenyl)-2-(9H-purin-6-ylsulfanyl)ethanone
SpectraBase Compound ID 5BcF5mcTodo
InChI InChI=1S/C13H10N4O3S/c18-8-2-1-7(3-9(8)19)10(20)4-21-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6,18-19H,4H2,(H,14,15,16,17)
InChIKey LHIAIAJPUGTNQM-UHFFFAOYSA-N
Mol Weight 302.31 g/mol
Molecular Formula C13H10N4O3S
Exact Mass 302.047361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUvIkwPagqv
Name 1-(3,4-Dihydroxyphenyl)-2-(9H-purin-6-ylsulfanyl)ethanone
CAS Registry Number 80985-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N4O3S
InChI InChI=1S/C13H10N4O3S/c18-8-2-1-7(3-9(8)19)10(20)4-21-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6,18-19H,4H2,(H,14,15,16,17)
InChIKey LHIAIAJPUGTNQM-UHFFFAOYSA-N
Molecular Weight 302.308 g/mol
SMILES [nH]1cnc2c(SCC(c3ccc(c(c3)O)O)=O)ncnc12
SPLASH splash10-0f79-4900000000-6e56bbfa3117168592b9
Source of Spectrum AD-0-2532-0
Synonyms 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone 1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-ylthio)ethanone 1-[3,4-bis(oxidanyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanone Ethanone, 1-(3,4-dihydroxyphenyl)-2-(9H-purin-6-yl)-
Wiley ID 1424364