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Ethyl [3,5-(13)C2]-5-(benzyloxy)-3-hydroxy-3-methylpentanoate
SpectraBase Compound ID BMXzUtcD38u
InChI InChI=1S/C15H22O4/c1-3-19-14(16)11-15(2,17)9-10-18-12-13-7-5-4-6-8-13/h4-8,17H,3,9-12H2,1-2H3/i10+1,15+1
InChIKey JWHXOHDFTSUPNZ-KRYYRCHBSA-N
Mol Weight 268.32 g/mol
Molecular Formula C1313C2H22O4
Exact Mass 268.158519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yyv9gFhdC8
Name Ethyl [3,5-(13)C2]-5-(benzyloxy)-3-hydroxy-3-methylpentanoate
Alternate Name(s) Ethyl 5-(benzyloxy)-3-hydroxy-3-methylpentanoate-3,5-13C2
Comments Original formula: C13[13C]2H22O4
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Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-3-19-14(16)11-15(2,17)9-10-18-12-13-7-5-4-6-8-13/h4-8,17H,3,9-12H2,1-2H3/i10+1,15+1
InChIKey JWHXOHDFTSUPNZ-KRYYRCHBSA-N
Literature Reference DOI 10.1002/cbic.201402298
Molecular Weight 268.322 g/mol
SMILES O[13C](C[13CH2]OCc1ccccc1)(C)CC(=O)OCC
SPLASH splash10-0006-9200000000-5fb719a80f1ec21c93b5
Source of Spectrum CBC-15-2379/SM13-22d
Wiley ID 1786834