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4-Isobutenyl-2-isobutyryl-1H-pyrrole
SpectraBase Compound ID CLsemKkisIT
InChI InChI=1S/C12H17NO/c1-8(2)5-10-6-11(13-7-10)12(14)9(3)4/h5-7,9,13H,1-4H3
InChIKey UNXNJJIURGFXMD-UHFFFAOYSA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ybrvkwFKEo
Name 4-Isobutenyl-2-isobutyryl-1H-pyrrole
Alternate Name(s) 2-methyl-1-[4-(2-methylprop-1-enyl)-1H-pyrrol-2-yl]-1-propanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO
InChI InChI=1S/C12H17NO/c1-8(2)5-10-6-11(13-7-10)12(14)9(3)4/h5-7,9,13H,1-4H3
InChIKey UNXNJJIURGFXMD-UHFFFAOYSA-N
Molecular Weight 191.274 g/mol
SMILES [nH]1cc(cc1C(=O)C(C)C)C=C(C)C
SPLASH splash10-0002-0900000000-402ac00a74620f51f1c2
Source of Spectrum U1-2009-3566-13
Wiley ID 1696869