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Ethyl [2,6-(13)C2]-5-(benzyloxy)-3-hydroxy-3-methylpentanoate
SpectraBase Compound ID JvHkoikkmO9
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/i2+1,11+1
InChIKey JWHXOHDFTSUPNZ-MJPHKSLMSA-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 KYdUUyEiYsX
Name Ethyl [2,6-(13)C2]-5-(benzyloxy)-3-hydroxy-3-methylpentanoate
Alternate Name(s) Ethyl 5-(benzyloxy)-3-hydroxy-3-(methyl-¹³C)pentanoate-2-¹³C
Comments Original formula: C13[13C]2H22O4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/i2+1,11+1
InChIKey JWHXOHDFTSUPNZ-MJPHKSLMSA-N
Literature Reference DOI 10.1002/cbic.201402298
Molecular Weight 268.322 g/mol
SMILES OC([13CH3])([13CH2]C(=O)OCC)CCOCc1ccccc1
SPLASH splash10-0006-9300000000-f94b91bbc692108e3fd0
Source of Spectrum CBC-15-2379/SM18-22e
Wiley ID 1786835