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2-ACETYL-5-(4-METHOXYPHENYLTHIO)-1-METHYL-4-NITROPYRROLE
SpectraBase Compound ID 9KOrdGG4SNc
InChI InChI=1S/C14H14N2O4S/c1-9(17)12-8-13(16(18)19)14(15(12)2)21-11-6-4-10(20-3)5-7-11/h4-8H,1-3H3
InChIKey AUJAOJSHVOYVQG-UHFFFAOYSA-N
Mol Weight 306.34 g/mol
Molecular Formula C14H14N2O4S
Exact Mass 306.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gZOkscx4AG
Name 2-ACETYL-5-(4-METHOXYPHENYLTHIO)-1-METHYL-4-NITROPYRROLE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14N2O4S
InChI InChI=1S/C14H14N2O4S/c1-9(17)12-8-13(16(18)19)14(15(12)2)21-11-6-4-10(20-3)5-7-11/h4-8H,1-3H3
InChIKey AUJAOJSHVOYVQG-UHFFFAOYSA-N
Literature Reference Author P.DIANA,A.PASSANNANTI,P.BARRAJA,A.LAURIA,G.CIRRINCIONE
Literature Reference Citation HETEROCYCLES,51,2103(1999)
Literature Reference DOI 10.3987/COM-99-8604
Molecular Weight 306.336 g/mol
Solvent DMSO-D6
Source File Reference UWSW132