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Terephthalic acid diethyl ester
SpectraBase Compound ID 74puNvka2K7
InChI InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChIKey ONIHPYYWNBVMID-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 2KoOWVrMZQi
Name Diethyl terephthalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChIKey ONIHPYYWNBVMID-UHFFFAOYSA-N
Instrument Name Agilent 7890A/5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201509149
Molecular Weight 222.240 g/mol
Quality 761
SMILES C=1(C=CC(=CC1)C(OCC)=O)C(OCC)=O
SPLASH splash10-004j-1900000000-00c45fba48182b5f2117
Source of Spectrum ACI-55-SM13-6 (DOI: 10.1002/anie.201509149)
Wiley ID 1895125