Methyl (E)-6-Oxo-6-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-2-hexenoate

SpectraBase Compound ID	4iACYKwPrRd
InChI	InChI=1S/C17H17NO5S/c1-23-17(20)10-6-5-9-16(19)14-11-12-18(13-14)24(21,22)15-7-3-2-4-8-15/h2-4,6-8,10-13H,5,9H2,1H3/b10-6+
InChIKey	TWHVFFWSXFISKI-UXBLZVDNSA-N Google Search
Mol Weight	347.39 g/mol
Molecular Formula	C17H17NO5S
Exact Mass	347.082744 g/mol

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SpectraBase Spectrum ID	JBjEvpPWNIe
Name	Methyl (E)-6-Oxo-6-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-2-hexenoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H17NO5S
InChI	InChI=1S/C17H17NO5S/c1-23-17(20)10-6-5-9-16(19)14-11-12-18(13-14)24(21,22)15-7-3-2-4-8-15/h2-4,6-8,10-13H,5,9H2,1H3/b10-6+
InChIKey	TWHVFFWSXFISKI-UXBLZVDNSA-N
Molecular Weight	347.385 g/mol
SMILES	C(\C=C\CCC(c1c[n](cc1)S(=O)(=O)c1ccccc1)=O)(=O)OC
SPLASH	splash10-001i-0090000000-ffc58db055509894cc3e
Source of Spectrum	E1-39-2833-8
Synonyms	methyl (2E)-6-oxo-6-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-2-hexenoate
Wiley ID	1519182