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,alpha.-(1,3-Dioxan-2-yl)-.gamma.-oxo-1-(phenylsulfonyl)-1H-pyrrole-3-butanal
SpectraBase Compound ID FiuMmJGnHvf
InChI InChI=1S/C18H19NO6S/c20-13-15(18-24-9-4-10-25-18)11-17(21)14-7-8-19(12-14)26(22,23)16-5-2-1-3-6-16/h1-3,5-8,12-13,15,18H,4,9-11H2
InChIKey RQSMVFHVCDNQTQ-UHFFFAOYSA-N
Mol Weight 377.41 g/mol
Molecular Formula C18H19NO6S
Exact Mass 377.093309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIv2g7qQHEn
Name ,alpha.-(1,3-Dioxan-2-yl)-.gamma.-oxo-1-(phenylsulfonyl)-1H-pyrrole-3-butanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO6S
InChI InChI=1S/C18H19NO6S/c20-13-15(18-24-9-4-10-25-18)11-17(21)14-7-8-19(12-14)26(22,23)16-5-2-1-3-6-16/h1-3,5-8,12-13,15,18H,4,9-11H2
InChIKey RQSMVFHVCDNQTQ-UHFFFAOYSA-N
Molecular Weight 377.411 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(CC(C1OCCCO1)C=O)=O
SPLASH splash10-0059-9450000000-b125549ecab7d20a3f14
Source of Spectrum E1-43-43-0
Synonyms 2-(1,3-dioxan-2-yl)-4-oxo-4-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]butanal
Wiley ID 1552866