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2H-Pyrrole-5-methanesulfonic acid, 3,4-dihydro-2,2-dimethyl-3-phenyl-
SpectraBase Compound ID JBcogPxROJ0
InChI InChI=1S/C13H17NO3S/c1-13(2)12(10-6-4-3-5-7-10)8-11(14-13)9-18(15,16)17/h3-7,12H,8-9H2,1-2H3,(H,15,16,17)
InChIKey JIZSJMWSXWRSIJ-UHFFFAOYSA-N
Mol Weight 267.34 g/mol
Molecular Formula C13H17NO3S
Exact Mass 267.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Jv7Gw0juiX
Name 2H-Pyrrole-5-methanesulfonic acid, 3,4-dihydro-2,2-dimethyl-3-phenyl-
CAS Registry Number 57625-18-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c1-13(2)12(10-6-4-3-5-7-10)8-11(14-13)9-18(15,16)17/h3-7,12H,8-9H2,1-2H3,(H,15,16,17)
InChIKey JIZSJMWSXWRSIJ-UHFFFAOYSA-N
Molecular Weight 267.343 g/mol
SMILES OS(CC1=NC(C)(C)C(C1)c1ccccc1)(=O)=O
SPLASH splash10-001i-9100000000-3c2075dce232791d03be
Source of Spectrum B-30-1580-0
Synonyms (2,2-dimethyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)methanesulfonic acid 5,5-Dimethyl-4-phenyl-1-pyrrolin-2-ylmethanesulphonic acid
Wiley ID 1271035