For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3xfvSDU6rNN
Name MPPP-M (p-dicarboxy-) 2ET @
CAS Registry Number 636-09-9
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 222.240 g/mol
SMILES c1cc(ccc1C(OCC)=O)C(=O)OCC
SPLASH splash10-004i-1900000000-ededc89b7da122923756
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Terephthalic acid diethyl ester
Technique GC/MS
Wiley ID MMPW6e_6495