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

*Links on SpectraBase are not permalinks.
2,2-Dimethyl-1-(1'-methyl-4'-nitro-2'-pyrrolyl)propyl p-tolyl sulfone
SpectraBase Compound ID 89FN33w3R5L
InChI InChI=1S/C17H22N2O4S/c1-12-6-8-14(9-7-12)24(22,23)16(17(2,3)4)15-10-13(19(20)21)11-18(15)5/h6-11,16H,1-5H3
InChIKey COYJBETTWQGASS-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C17H22N2O4S
Exact Mass 350.130028 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 43oFqAsOl8O
Name 2,2-Dimethyl-1-(1'-methyl-4'-nitro-2'-pyrrolyl)propyl p-tolyl sulfone
CAS Registry Number 114550-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O4S
InChI InChI=1S/C17H22N2O4S/c1-12-6-8-14(9-7-12)24(22,23)16(17(2,3)4)15-10-13(19(20)21)11-18(15)5/h6-11,16H,1-5H3
InChIKey COYJBETTWQGASS-UHFFFAOYSA-N
Molecular Weight 350.433 g/mol
SMILES c1(C(S(c2ccc(cc2)C)(=O)=O)C(C)(C)C)cc(N(=O)=O)c[n]1C
SPLASH splash10-0002-2900000000-7f8f536d93794d3982ec
Source of Spectrum J-53-3106-5
Synonyms 2,2-Dimethyl-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)propyl 4-methylphenyl sulfone 2-{2,2-dimethyl-1-[(4-methylphenyl)sulfonyl]propyl}-1-methyl-4-nitro-1H-pyrrole
Wiley ID 1341811