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1-(4-Isopropylphenyl)acetone
SpectraBase Compound ID DKTupeYsL2A
InChI InChI=1S/C12H16O/c1-9(2)12-6-4-11(5-7-12)8-10(3)13/h4-7,9H,8H2,1-3H3
InChIKey APWPLZAFFOTPRO-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 7A9pzLteNwa
Name 1-(4-Isopropylphenyl)acetone
Alternate Name(s) 1-(4-isopropylphenyl)propan-2-one 1-(4-propan-2-ylphenyl)-2-propanone 1-(4-propan-2-ylphenyl)propan-2-one 1-p-cumenylacetone
CAS Registry Number 7306-39-0
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O
InChI InChI=1S/C12H16O/c1-9(2)12-6-4-11(5-7-12)8-10(3)13/h4-7,9H,8H2,1-3H3
InChIKey APWPLZAFFOTPRO-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES c1(ccc(CC(=O)C)cc1)C(C)C
SPLASH splash10-001i-0900000000-4e28e879c2b911409621
Source of Spectrum J-53-545-12
Wiley ID 1172741