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Ethyl [5-(13)C]-5-(benzyloxy)-3-hydroxy-3-methylpentanoate
SpectraBase Compound ID HS6rux2D7o0
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
InChIKey JWHXOHDFTSUPNZ-DETAZLGJSA-N
Mol Weight 267.33 g/mol
Molecular Formula C1413CH22O4
Exact Mass 267.155164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9RiNTXOa3f
Name Ethyl [5-(13)C]-5-(benzyloxy)-3-hydroxy-3-methylpentanoate
Alternate Name(s) Ethyl 5-(benzyloxy)-3-hydroxy-3-methylpentanoate-5-¹³C
Comments Original formula: C14[13C]H22O4
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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
InChIKey JWHXOHDFTSUPNZ-DETAZLGJSA-N
Literature Reference DOI 10.1002/cbic.201402298
Molecular Weight 267.329 g/mol
SMILES OC(C[13CH2]OCc1ccccc1)(C)CC(=O)OCC
SPLASH splash10-0006-9400000000-25de51c4a3e95414125b
Source of Spectrum CBC-15-2379/SM12-22b
Wiley ID 1786832