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pyrrole-2-yl p-tolyl ketone

View entire compound with spectra: 2 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

pyrrole-2-yl p-tolyl ketone
SpectraBase Compound ID D6hcINXmBx3
InChI InChI=1S/C12H11NO/c1-9-4-6-10(7-5-9)12(14)11-3-2-8-13-11/h2-8,13H,1H3
InChIKey MDNRTNIOWCDASD-UHFFFAOYSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FMRMvaPy69
Name (1H-Pyrrol-2-yl)(p-tolyl)methanone
Alternate Name(s) (4-methylphenyl)-(1H-pyrrol-2-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO
InChI InChI=1S/C12H11NO/c1-9-4-6-10(7-5-9)12(14)11-3-2-8-13-11/h2-8,13H,1H3
InChIKey MDNRTNIOWCDASD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201400598
Molecular Weight 185.226 g/mol
SMILES [nH]1cccc1C(=O)c1ccc(cc1)C
SPLASH splash10-0079-1900000000-0a80520d86f95612aa06
Source of Spectrum ASC-356-3784/SM5-3l
Wiley ID 1769781