Molecule

dimethyl benzene-1,3-dicarboxylate

Chemical Information

Molecular Image

InChI	InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
SMILES	COC(=O)c1cccc(c1)C(=O)OC
InChI Key	VNGOYPQMJFJDLV-UHFFFAOYSA-N
Exact Mass	194.184 g/mol

9 Related Dataset(s) ⌄

1,3-DIMETHYL PHTHALAE; 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 ISOPHTHALATE; EI-B; MS

DIMETHYL ISOPHTHALATE; EI-B; MS

DIMETHYL ISOPHTHALATE; EI-B; MS

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol1103
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL2010300	chembl
34953	surechembl
15088	pubchem
2UY9Y3574K	fdasrs
GOHRUS	CCDC
151192	brenda
259522	brenda
DTXSID8027402	comptox
Molport-001-625-008	molport
The data in this table is sourced from UniChem at EBI.