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5,5-Dimethyl-3-(1H-pyrrol-2-yl)-cyclohex-2-enone
SpectraBase Compound ID ElNNjqXJngq
InChI InChI=1S/C12H15NO/c1-12(2)7-9(6-10(14)8-12)11-4-3-5-13-11/h3-6,13H,7-8H2,1-2H3
InChIKey NXZGEVQDBCWMMD-UHFFFAOYSA-N
Mol Weight 189.26 g/mol
Molecular Formula C12H15NO
Exact Mass 189.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cqm1lv0B0uu
Name 5,5-Dimethyl-3-(1H-pyrrol-2-yl)-cyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO
InChI InChI=1S/C12H15NO/c1-12(2)7-9(6-10(14)8-12)11-4-3-5-13-11/h3-6,13H,7-8H2,1-2H3
InChIKey NXZGEVQDBCWMMD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505345
Molecular Weight 189.258 g/mol
SMILES [nH]1cccc1C1=CC(CC(C1)(C)C)=O
SPLASH splash10-053i-0900000000-0406a77b0254371ac1d1
Source of Spectrum ASC-348-331/SM4-6b
Synonyms 5,5-Dimethyl-3-(1H-pyrrol-2-yl)cyclohex-2-enone
Wiley ID 1765136