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1,2,3-Propanetricarboxylic acid, 2-acetyl-, 1,3-diethyl 2-(phenylmethyl) ester
SpectraBase Compound ID 6bferjQqilt
InChI InChI=1S/C19H24O7/c1-4-24-16(21)11-19(14(3)20,12-17(22)25-5-2)18(23)26-13-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3
InChIKey ODBBUCDWCBCLSL-UHFFFAOYSA-N
Mol Weight 364.39 g/mol
Molecular Formula C19H24O7
Exact Mass 364.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cpz6e3oUmJc
Name 1,2,3-Propanetricarboxylic acid, 2-acetyl-, 1,3-diethyl 2-(phenylmethyl) ester
Alternate Name(s) 2-Benzyl 1,3-diethyl 2-acetyl-1,2,3-propanetricarboxylate Diethyl 3-acetyl-3-carboxybenzylglutarate
CAS Registry Number 67490-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O7
InChI InChI=1S/C19H24O7/c1-4-24-16(21)11-19(14(3)20,12-17(22)25-5-2)18(23)26-13-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3
InChIKey ODBBUCDWCBCLSL-UHFFFAOYSA-N
Molecular Weight 364.394 g/mol
SMILES C(C(OCc1ccccc1)=O)(C(=O)C)(CC(=O)OCC)CC(=O)OCC
SPLASH splash10-0gvx-2391000000-222e6dae9c6ee22ea6a6
Source of Spectrum F-37-4538-0
Wiley ID 1350704