For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[1'-Hydroxyisobutyl)-2-isobutyryl)-1-(phenylsulfonyl)-1H-pyrrole
SpectraBase Compound ID AY5pG5Tmqgt
InChI InChI=1S/C18H23NO4S/c1-12(2)17(20)14-10-16(18(21)13(3)4)19(11-14)24(22,23)15-8-6-5-7-9-15/h5-13,17,20H,1-4H3
InChIKey SORJJQLRJCFFTJ-UHFFFAOYSA-N
Mol Weight 349.45 g/mol
Molecular Formula C18H23NO4S
Exact Mass 349.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8AT6VLg5NJN
Name 4-[1'-Hydroxyisobutyl)-2-isobutyryl)-1-(phenylsulfonyl)-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4S
InChI InChI=1S/C18H23NO4S/c1-12(2)17(20)14-10-16(18(21)13(3)4)19(11-14)24(22,23)15-8-6-5-7-9-15/h5-13,17,20H,1-4H3
InChIKey SORJJQLRJCFFTJ-UHFFFAOYSA-N
Molecular Weight 349.445 g/mol
SMILES OC(c1c[n](S(=O)(=O)c2ccccc2)c(c1)C(=O)C(C)C)C(C)C
SPLASH splash10-0a4i-0109000000-887c36f963a24d006652
Source of Spectrum U1-2009-3565-5
Synonyms 1-[1-(benzenesulfonyl)-4-(1-hydroxy-2-methylpropyl)-2-pyrrolyl]-2-methyl-1-propanone 1-[1-(benzenesulfonyl)-4-(1-hydroxy-2-methylpropyl)pyrrol-2-yl]-2-methylpropan-1-one 1-[1-(benzenesulfonyl)-4-(1-hydroxy-2-methyl-propyl)pyrrol-2-yl]-2-methyl-propan-1-one 2-Methyl-1-[4-(2-methyl-1-oxidanyl-propyl)-1-(phenylsulfonyl)pyrrol-2-yl]propan-1-one
Wiley ID 1714166