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1,2-Benzenedicarboxylic acid, diethyl ester
SpectraBase Compound ID 9DQDeMf4Ocj
InChI InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChIKey FLKPEMZONWLCSK-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ53JxtUEQS
Name Diethylphthalate
CAS Registry Number 84-66-2
Classification Softener
Comments Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChIKey FLKPEMZONWLCSK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 222.240 g/mol
Nominal Mass 222 u
Quality 1000
Retention Index 1564
SMILES C=1(C(C(OCC)=O)=CC=CC1)C(OCC)=O
SPLASH splash10-0002-2900000000-fc40f99b0c01cc46fb57
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Diethylbenzene-1,2-dicarboxylate
Technique GC/MS
Wiley ID DD2024_031211