Molecule

dimethyl benzene-1,4-dicarboxylate

Chemical Information

Molecular Image

InChI	InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
SMILES	COC(=O)c(c1)ccc(c1)C(=O)OC
InChI Key	WOZVHXUHUFLZGK-UHFFFAOYSA-N
Exact Mass	194.058 g/mol

10 Related Dataset(s) ⌄

1,4-DIMETHYL PHTHALATE; EI-B; MS

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

1H--1H correlation spectroscopy (1H-1H COSY)

DIMETHYL TEREPHTHALATE; EI-B; MS

Dimethyl terephthalate; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol35521
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:156286	chebi
CHEMBL1870757	chembl
23600	surechembl
8441	pubchem
IKZ2470UNV	fdasrs
DMTPAL	CCDC
DTXSID0020498	comptox
Molport-001-783-270	molport
The data in this table is sourced from UniChem at EBI.