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4'-isobutylacetophenone
SpectraBase Compound ID CVyIFUyV9rJ
InChI InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3
InChIKey KEAGRYYGYWZVPC-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 LsqlLE2p8N0
Name 1-(4-isobutylphenyl)ethanone
Alternate Name(s) 1-(4-isobutylphenyl)ethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3
InChIKey KEAGRYYGYWZVPC-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES c1c(ccc(c1)CC(C)C)C(C)=O
SPLASH splash10-03di-2900000000-e0d2ab7f2ffcaff53424
Source of Spectrum YongFang Rao, et al. Chemical Engineering Journal, V.283, 2016, P.65-75
Wiley ID 1815411