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Triethyl citrate
SpectraBase Compound ID KjX9PUg6WpI
InChI InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
InChIKey DOOTYTYQINUNNV-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 2oFInzz9HVI
Name Ethyl citrate
CAS Registry Number 77-93-0
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 276.120902977 u
Formula C12H20O7
InChI InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
InChIKey DOOTYTYQINUNNV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 276.285 g/mol
Nominal Mass 276 u
Quality 1000
Retention Index 1616
SMILES OC(C(OCC)=O)(CC(OCC)=O)CC(OCC)=O
SPLASH splash10-0a4i-4900000000-0e306026d656ec680726
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Technique GC/MS
Wiley ID DD2024_020170