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2-Methyl-5-[1-oxo-1-(cyclohexenyl)ethyl]pyrrole
SpectraBase Compound ID 9JXyD933nrH
InChI InChI=1S/C13H17NO/c1-10-7-8-12(14-10)13(15)9-11-5-3-2-4-6-11/h5,7-8,14H,2-4,6,9H2,1H3
InChIKey XYTULYWFSRHDIF-UHFFFAOYSA-N
Mol Weight 203.28 g/mol
Molecular Formula C13H17NO
Exact Mass 203.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eahzk5Uh8U
Name 2-Methyl-5-[1-oxo-1-(cyclohexenyl)ethyl]pyrrole
Alternate Name(s) 2-(1-cyclohexen-1-yl)-1-(5-methyl-1H-pyrrol-2-yl)ethanone
CAS Registry Number 141346-24-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO
InChI InChI=1S/C13H17NO/c1-10-7-8-12(14-10)13(15)9-11-5-3-2-4-6-11/h5,7-8,14H,2-4,6,9H2,1H3
InChIKey XYTULYWFSRHDIF-UHFFFAOYSA-N
Molecular Weight 203.285 g/mol
SMILES [nH]1c(ccc1C(CC1=CCCCC1)=O)C
SPLASH splash10-0006-9010000000-4d70a6be217e68bf2976
Source of Spectrum J-57-4210-8
Wiley ID 1201030