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4'-tert-Butyl-acetophenone
SpectraBase Compound ID BbFyUn9WS5w
InChI InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3
InChIKey UYFJYGWNYQCHOB-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14vD4FGojGv
Name p-tert-Butylacetophenone
CAS Registry Number 943-27-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3
InChIKey UYFJYGWNYQCHOB-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
Number of Peaks 50
RI1 1419
RI2 1098
SMILES C(C)(C)(C)c1ccc(cc1)C(C)=O
SPLASH splash10-03dl-4900000000-c75544910c78bfcea0a1
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Oxirane, 2,2-dimethyl-3-[(2E)-3-methyl-2,4-pentadien-1-yl]
Wiley ID LM_FFNSC3_3362