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1-Penten-3-one, 4,4-dimethyl-1-(1H-pyrrol-2-yl)-, (E)-
SpectraBase Compound ID 6kAIdeAFIaO
InChI InChI=1S/C11H15NO/c1-11(2,3)10(13)7-6-9-5-4-8-12-9/h4-8,12H,1-3H3/b7-6+
InChIKey XQTZFRAWIWZMIU-VOTSOKGWSA-N
Mol Weight 177.25 g/mol
Molecular Formula C11H15NO
Exact Mass 177.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5DJUbtZdVA
Name 1-Penten-3-one, 4,4-dimethyl-1-(1H-pyrrol-2-yl)-, (E)-
CAS Registry Number 72649-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO
InChI InChI=1S/C11H15NO/c1-11(2,3)10(13)7-6-9-5-4-8-12-9/h4-8,12H,1-3H3/b7-6+
InChIKey XQTZFRAWIWZMIU-VOTSOKGWSA-N
Molecular Weight 177.247 g/mol
SMILES [nH]1cccc1\C=C\C(C(C)(C)C)=O
SPLASH splash10-00di-4900000000-1e240f3b38a2acc7d6e8
Source of Spectrum K-112-3583-0
Synonyms (1E)-4,4-dimethyl-1-(1H-pyrrol-2-yl)-1-penten-3-one 4,4-Dimethyl-1-(2-pyrrolyl)-1-penten-3-one
Wiley ID 1173252