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4,4-Dimethyl-1-(4-methylphenyl)-3-oxopent-1-en-1-yl 4-methylbenzoate
SpectraBase Compound ID BSmH4yjDs8i
InChI InChI=1S/C22H24O3/c1-15-6-10-17(11-7-15)19(14-20(23)22(3,4)5)25-21(24)18-12-8-16(2)9-13-18/h6-14H,1-5H3/b19-14+
InChIKey QAWHGJXKASJQOY-XMHGGMMESA-N
Mol Weight 336.43 g/mol
Molecular Formula C22H24O3
Exact Mass 336.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GushuvgQihB
Name 4,4-Dimethyl-1-(4-methylphenyl)-3-oxopent-1-en-1-yl 4-methylbenzoate
Alternate Name(s) (1E)-4,4-dimethyl-1-(4-methylphenyl)-3-oxo-1-pentenyl 4-methylbenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H24O3
InChI InChI=1S/C22H24O3/c1-15-6-10-17(11-7-15)19(14-20(23)22(3,4)5)25-21(24)18-12-8-16(2)9-13-18/h6-14H,1-5H3/b19-14+
InChIKey QAWHGJXKASJQOY-XMHGGMMESA-N
Molecular Weight 336.431 g/mol
SMILES C(O\C(=C\C(C(C)(C)C)=O)c1ccc(cc1)C)(c1ccc(cc1)C)=O
SPLASH splash10-014i-0900000000-0dc787dd02a23402976a
Source of Spectrum KC-0-1538-8
Wiley ID 828086