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Dimethyl 2-[(E)-1-Phenyl-2,6,6-trimethyl-3-oxoheptyl]malonate
SpectraBase Compound ID KVxoWt88A3V
InChI InChI=1S/C21H30O5/c1-14(16(22)12-13-21(2,3)4)17(15-10-8-7-9-11-15)18(19(23)25-5)20(24)26-6/h7-11,14,17-18H,12-13H2,1-6H3
InChIKey RLKILPSVSVAWJQ-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SFyQ0xNLoF
Name Dimethyl 2-[(E)-1-Phenyl-2,6,6-trimethyl-3-oxoheptyl]malonate
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Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-14(16(22)12-13-21(2,3)4)17(15-10-8-7-9-11-15)18(19(23)25-5)20(24)26-6/h7-11,14,17-18H,12-13H2,1-6H3
InChIKey RLKILPSVSVAWJQ-UHFFFAOYSA-N
Molecular Weight 362.466 g/mol
SMILES C(C(C(C(=O)CCC(C)(C)C)C)c1ccccc1)(C(=O)OC)C(=O)OC
SPLASH splash10-03di-0498000000-371549342e8c6c15d374
Source of Spectrum AJ-64-3002-14
Synonyms Dimethyl 2-(2,6,6-trimethyl-3-oxo-1-phenylheptyl)malonate
Wiley ID 1349749