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1'-Butyl 1,5-Dimethyl Citrate
SpectraBase Compound ID 2iBxfdA20nZ
InChI InChI=1S/C12H20O7/c1-3-4-5-6-19-10(14)8-12(17,11(15)16)7-9(13)18-2/h17H,3-8H2,1-2H3,(H,15,16)
InChIKey BEZIFAOBYZJDLM-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 8nnLMEM2BQ
Name 1'-Butyl 1,5-Dimethyl Citrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O7
InChI InChI=1S/C12H20O7/c1-3-4-5-6-19-10(14)8-12(17,11(15)16)7-9(13)18-2/h17H,3-8H2,1-2H3,(H,15,16)
InChIKey BEZIFAOBYZJDLM-UHFFFAOYSA-N
Molecular Weight 276.285 g/mol
SMILES OC(C(CC(=O)OC)(CC(=O)OCCCCC)O)=O
SPLASH splash10-0006-0910000000-400d77b44aecfbfb07e2
Source of Spectrum X4-25-292-0
Synonyms 2-Hydroxy-4-methoxy-4-oxo-2-[2-oxo-2-(pentyloxy)ethyl]butanoic acid
Wiley ID 1586201