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Ethyl [2-(13C)]-3-hydroxy-3-methyl-5,5-dimethoxypentanoate
SpectraBase Compound ID LoAJs5By9hD
InChI InChI=1S/C10H20O5/c1-5-15-8(11)6-10(2,12)7-9(13-3)14-4/h9,12H,5-7H2,1-4H3/i6+1
InChIKey OZVRDIVRIDFFDK-PTQBSOBMSA-N
Mol Weight 221.26 g/mol
Molecular Formula C913CH20O5
Exact Mass 221.134429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhEjC97yCUU
Name Ethyl [2-(13C)]-3-hydroxy-3-methyl-5,5-dimethoxypentanoate
Alternate Name(s) Ethyl 3-hydroxy-5,5-dimethoxy-3-methylpentanoate-2-¹³C
Comments Original formula: C9[13C]H20O5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O5
InChI InChI=1S/C10H20O5/c1-5-15-8(11)6-10(2,12)7-9(13-3)14-4/h9,12H,5-7H2,1-4H3/i6+1
InChIKey OZVRDIVRIDFFDK-PTQBSOBMSA-N
Literature Reference DOI 10.1002/cbic.201402298
Molecular Weight 221.257 g/mol
SMILES OC(C)([13CH2]C(=O)OCC)CC(OC)OC
SPLASH splash10-056x-9400000000-d4d589babea906fcf88e
Source of Spectrum CBC-15-2379/SM20-30
Wiley ID 1786837