2-(4-methylphenyl)sulfonyl-1-pyrrolo[1,2-c]pyrimidinone

SpectraBase Compound ID	I1f2tmETsXD
InChI	InChI=1S/C14H12N2O3S/c1-11-4-6-13(7-5-11)20(18,19)16-10-8-12-3-2-9-15(12)14(16)17/h2-10H,1H3
InChIKey	BGRZZQFYXQKEIX-UHFFFAOYSA-N Google Search
Mol Weight	288.32 g/mol
Molecular Formula	C14H12N2O3S
Exact Mass	288.056863 g/mol

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SpectraBase Spectrum ID	55Z3uOipbFQ
Name	2-(4-methylphenyl)sulfonyl-1-pyrrolo[1,2-c]pyrimidinone
Alternate Name(s)	2-(4-methylphenyl)sulfonylpyrrolo[1,2-c]pyrimidin-1-one 2-(p-tolylsulfonyl)pyrrolo[1,2-c]pyrimidin-1-one 2-tosylpyrrolo[1,2-c]pyrimidin-1-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H12N2O3S
InChI	InChI=1S/C14H12N2O3S/c1-11-4-6-13(7-5-11)20(18,19)16-10-8-12-3-2-9-15(12)14(16)17/h2-10H,1H3
InChIKey	BGRZZQFYXQKEIX-UHFFFAOYSA-N
Molecular Weight	288.321 g/mol
SMILES	C1([n]2c(C=CN1S(=O)(=O)c1ccc(cc1)C)ccc2)=O
SPLASH	splash10-001i-0930000000-9211285a60b84b24b2b9
Source of Spectrum	K-2002-473-1
Wiley ID	1580833