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1-(1-besylpyrrol-3-yl)-3-(1,3-dioxan-2-yl)-4,4-dimethoxy-butan-1-one
SpectraBase Compound ID HPcElEV1dUZ
InChI InChI=1S/C20H25NO7S/c1-25-19(26-2)17(20-27-11-6-12-28-20)13-18(22)15-9-10-21(14-15)29(23,24)16-7-4-3-5-8-16/h3-5,7-10,14,17,19-20H,6,11-13H2,1-2H3
InChIKey VDAMJPXANMDSHE-UHFFFAOYSA-N
Mol Weight 423.48 g/mol
Molecular Formula C20H25NO7S
Exact Mass 423.135173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fBMrkNtDG4
Name 1-(1-besylpyrrol-3-yl)-3-(1,3-dioxan-2-yl)-4,4-dimethoxy-butan-1-one
Alternate Name(s) 1-[1-(benzenesulfonyl)-3-pyrrolyl]-3-(1,3-dioxan-2-yl)-4,4-dimethoxy-1-butanone 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxan-2-yl)-4,4-dimethoxy-butan-1-one 3-(1,3-dioxan-2-yl)-4,4-dimethoxy-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO7S
InChI InChI=1S/C20H25NO7S/c1-25-19(26-2)17(20-27-11-6-12-28-20)13-18(22)15-9-10-21(14-15)29(23,24)16-7-4-3-5-8-16/h3-5,7-10,14,17,19-20H,6,11-13H2,1-2H3
InChIKey VDAMJPXANMDSHE-UHFFFAOYSA-N
Molecular Weight 423.480 g/mol
SMILES c1[n](ccc1C(CC(C(OC)OC)C1OCCCO1)=O)S(=O)(=O)c1ccccc1
SPLASH splash10-002r-9100000000-373319547d21b24b1b43
Source of Spectrum E1-43-43-10
Wiley ID 1552867