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1-Butyl 1',5-Dimethyl Citrate
SpectraBase Compound ID J0iHYPRoagp
InChI InChI=1S/C12H20O7/c1-3-5-6-19-10(14)8-12(17,11(15)16)7-9(13)18-4-2/h17H,3-8H2,1-2H3,(H,15,16)
InChIKey GTINPZWAAVXVJS-UHFFFAOYSA-N
Mol Weight 276.28 g/mol
Molecular Formula C12H20O7
Exact Mass 276.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzBdTU9GLqB
Name 1-Butyl 1',5-Dimethyl Citrate
Alternate Name(s) 4-Butoxy-2-(2-ethoxy-2-oxoethyl)-2-hydroxy-4-oxobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O7
InChI InChI=1S/C12H20O7/c1-3-5-6-19-10(14)8-12(17,11(15)16)7-9(13)18-4-2/h17H,3-8H2,1-2H3,(H,15,16)
InChIKey GTINPZWAAVXVJS-UHFFFAOYSA-N
Molecular Weight 276.285 g/mol
SMILES OC(C(CC(=O)OCCCC)(CC(=O)OCC)O)=O
SPLASH splash10-0006-0900000000-7b4857a6bf0de0eb81cb
Source of Spectrum X4-25-292-0
Wiley ID 1586200