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1-(1-besylpyrrol-3-yl)-2-bromo-3-(1,3-dioxan-2-yl)propan-1-one
SpectraBase Compound ID CAkAKc5M9ag
InChI InChI=1S/C17H18BrNO5S/c18-15(11-16-23-9-4-10-24-16)17(20)13-7-8-19(12-13)25(21,22)14-5-2-1-3-6-14/h1-3,5-8,12,15-16H,4,9-11H2
InChIKey SUFRMQQIEMWLCF-UHFFFAOYSA-N
Mol Weight 428.3 g/mol
Molecular Formula C17H18BrNO5S
Exact Mass 427.008907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDFGTLugZhb
Name 1-(1-besylpyrrol-3-yl)-2-bromo-3-(1,3-dioxan-2-yl)propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18BrNO5S
InChI InChI=1S/C17H18BrNO5S/c18-15(11-16-23-9-4-10-24-16)17(20)13-7-8-19(12-13)25(21,22)14-5-2-1-3-6-14/h1-3,5-8,12,15-16H,4,9-11H2
InChIKey SUFRMQQIEMWLCF-UHFFFAOYSA-N
Molecular Weight 428.297 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(C(CC1OCCCO1)Br)=O
SPLASH splash10-0040-9121000000-a07853d5e421a52163cb
Source of Spectrum E1-43-42-10
Synonyms 1-[1-(benzenesulfonyl)-3-pyrrolyl]-2-bromo-3-(1,3-dioxan-2-yl)-1-propanone 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-bromo-3-(1,3-dioxan-2-yl)propan-1-one 2-Bromanyl-3-(1,3-dioxan-2-yl)-1-[1-(phenylsulfonyl)pyrrol-3-yl]propan-1-one
Wiley ID 1552878