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1,4-Benzenediacetic acid, .alpha.-(ethoxycarbonyl)-.alpha.-hydroxy-, diethyl ester
SpectraBase Compound ID 4lX6UiUOrmq
InChI InChI=1S/C17H22O7/c1-4-22-14(18)11-12-7-9-13(10-8-12)17(21,15(19)23-5-2)16(20)24-6-3/h7-10,21H,4-6,11H2,1-3H3
InChIKey BPPKHRAOZLDGIO-UHFFFAOYSA-N
Mol Weight 338.36 g/mol
Molecular Formula C17H22O7
Exact Mass 338.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uS5YPhi0MN
Name 1,4-Benzenediacetic acid, .alpha.-(ethoxycarbonyl)-.alpha.-hydroxy-, diethyl ester
CAS Registry Number 83026-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O7
InChI InChI=1S/C17H22O7/c1-4-22-14(18)11-12-7-9-13(10-8-12)17(21,15(19)23-5-2)16(20)24-6-3/h7-10,21H,4-6,11H2,1-3H3
InChIKey BPPKHRAOZLDGIO-UHFFFAOYSA-N
Molecular Weight 338.356 g/mol
SMILES OC(C(=O)OCC)(C(=O)OCC)c1ccc(CC(=O)OCC)cc1
SPLASH splash10-0006-1910000000-98d6d7a6fbb8e4de6787
Source of Spectrum J-47-4697-0
Synonyms Diethyl 2-[4-(2-ethoxy-2-oxoethyl)phenyl]-2-hydroxymalonate Diethyl[4-(carbethoxymethyl)phenyl]tartronate
Wiley ID 1333587