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Benzo[d]1,3-dioxin, 6-carboxylic acid-2,4-dihydro-8-(1-oxido-2-pyridylthiomethyl)-, ethyl ester
SpectraBase Compound ID 99bPxB9Vvbd
InChI InChI=1S/C17H17NO5S/c1-2-22-17(19)12-7-13-9-21-11-23-16(13)14(8-12)10-24-15-5-3-4-6-18(15)20/h3-8H,2,9-11H2,1H3
InChIKey GLXSRKWTMDXDOF-UHFFFAOYSA-N
Mol Weight 347.39 g/mol
Molecular Formula C17H17NO5S
Exact Mass 347.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6rGQNPabDk
Name Benzo[d]1,3-dioxin, 6-carboxylic acid-2,4-dihydro-8-(1-oxido-2-pyridylthiomethyl)-, ethyl ester
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Formula C17H17NO5S
InChI InChI=1S/C17H17NO5S/c1-2-22-17(19)12-7-13-9-21-11-23-16(13)14(8-12)10-24-15-5-3-4-6-18(15)20/h3-8H,2,9-11H2,1H3
InChIKey GLXSRKWTMDXDOF-UHFFFAOYSA-N
Molecular Weight 347.385 g/mol
SMILES c1cc([n+]([O-])cc1)SCc1c2c(cc(c1)C(=O)OCC)COCO2
SPLASH splash10-0uec-7957000000-93940ba934d04e4a999f
Source of Spectrum AD-0-2532-0
Synonyms 8-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester 8-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Ethyl 8-([(1-oxido-2-pyridinyl)sulfanyl]methyl)-4H-1,3-benzodioxine-6-carboxylate Ethyl 8-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Ethyl 8-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate
Wiley ID 1427547