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(S)-2-[(R)-1-Methyl-2-oxo-2-(2,4,6-trimethyl-phenyl)-ethyl]-but-3-eneperoxoic acid methyl ester
SpectraBase Compound ID EEBfzSf2rp6
InChI InChI=1S/C17H22O4/c1-7-14(17(19)21-20-6)13(5)16(18)15-11(3)8-10(2)9-12(15)4/h7-9,13-14H,1H2,2-6H3/t13-,14+/m1/s1
InChIKey WCFDCOPJVLOTMC-KGLIPLIRSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALExQpMwBZ7
Name (S)-2-[(R)-1-Methyl-2-oxo-2-(2,4,6-trimethyl-phenyl)-ethyl]-but-3-eneperoxoic acid methyl ester
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Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-7-14(17(19)21-20-6)13(5)16(18)15-11(3)8-10(2)9-12(15)4/h7-9,13-14H,1H2,2-6H3/t13-,14+/m1/s1
InChIKey WCFDCOPJVLOTMC-KGLIPLIRSA-N
Molecular Weight 290.359 g/mol
SMILES C(c1c(cc(cc1C)C)C)([C@@]([C@@](C(=O)OOC)(C=C)[H])(C)[H])=O
SPLASH splash10-0002-0900000000-5c29e38cc627453c772a
Source of Spectrum SO-0-86-7
Synonyms 2-Methyl-1-(2,4,6-trimethyl)pent-4-en-1-one Methyl (2S)-2-[(1R)-2-mesityl-1-methyl-2-oxoethyl]-3-buteneperoxoate
Wiley ID 875195