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

*Links on SpectraBase are not permalinks.
2H-Pyrrole-5-methanesulfonic acid, 3,4-dihydro-2,2-dimethyl-.alpha.-phenyl-
SpectraBase Compound ID AlqDHQR9hH
InChI InChI=1S/C13H17NO3S/c1-13(2)9-8-11(14-13)12(18(15,16)17)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,15,16,17)
InChIKey KUBIQFBILKKWNU-UHFFFAOYSA-N
Mol Weight 267.34 g/mol
Molecular Formula C13H17NO3S
Exact Mass 267.092915 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 rpHl1N1paN
Name 2H-Pyrrole-5-methanesulfonic acid, 3,4-dihydro-2,2-dimethyl-.alpha.-phenyl-
CAS Registry Number 57625-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c1-13(2)9-8-11(14-13)12(18(15,16)17)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,15,16,17)
InChIKey KUBIQFBILKKWNU-UHFFFAOYSA-N
Molecular Weight 267.343 g/mol
SMILES OS(C(C1=NC(C)(C)CC1)c1ccccc1)(=O)=O
SPLASH splash10-00dr-2900000000-2b434ed41365fcb41a30
Source of Spectrum B-30-1580-0
Synonyms (2,2-dimethyl-3,4-dihydro-2H-pyrrol-5-yl)(phenyl)methanesulfonic acid 5,5-Dimethyl-1-pyrrolin-2-yl(phenyl) methanesulphonic acid
Wiley ID 1271036