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2,4-bis(1'-Hydroxyisobutyl)-1-(phenylsulfonyl)-1H-pyrrole
SpectraBase Compound ID 8YRtchpiMRO
InChI InChI=1S/C18H25NO4S/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/h5-13,17-18,20-21H,1-4H3
InChIKey BUDGBUQZZITBTD-UHFFFAOYSA-N
Mol Weight 351.46 g/mol
Molecular Formula C18H25NO4S
Exact Mass 351.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AuDkqbwR6Z
Name 2,4-bis(1'-Hydroxyisobutyl)-1-(phenylsulfonyl)-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO4S
InChI InChI=1S/C18H25NO4S/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/h5-13,17-18,20-21H,1-4H3
InChIKey BUDGBUQZZITBTD-UHFFFAOYSA-N
Molecular Weight 351.461 g/mol
SMILES OC(c1c[n](c(C(C(C)C)O)c1)S(=O)(=O)c1ccccc1)C(C)C
SPLASH splash10-0a4i-0009000000-e9c38dd3a1671cf2cf4d
Source of Spectrum U1-2009-3565-6
Synonyms 1-[1-(benzenesulfonyl)-4-(1-hydroxy-2-methylpropyl)-2-pyrrolyl]-2-methyl-1-propanol 1-[1-(benzenesulfonyl)-4-(1-hydroxy-2-methylpropyl)pyrrol-2-yl]-2-methylpropan-1-ol 1-[1-(benzenesulfonyl)-4-(1-hydroxy-2-methyl-propyl)pyrrol-2-yl]-2-methyl-propan-1-ol 2-Methyl-1-[4-(2-methyl-1-oxidanyl-propyl)-1-(phenylsulfonyl)pyrrol-2-yl]propan-1-ol
Wiley ID 1714165