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Dimethyl terephthalate-[d4]

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General Information
Catalog: BLP-000238
CAS: 74079-01-9
Molecular Formula: C10H6D4O4
Molecular Weight: 198.21

Chemical Structure

Synonyms	1,4-Benzenedicarboxylic Acid-d4 Dimethyl Ester; Dimethyl terephthalate-2,3,5,6-d4
IUPAC Name	dimethyl 2,3,5,6-tetradeuteriobenzene-1,4-dicarboxylate
Related CAS	120-61-6 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C(=O)OC)[2H])[2H])C(=O)OC)[2H]
Canonical SMILES	COC(=O)C1=CC=C(C=C1)C(=O)OC
InChI	InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3/i3D,4D,5D,6D
InChI Key	WOZVHXUHUFLZGK-LNFUJOGGSA-N
Melting Point	139-141 °C (lit.)
Purity	98% atom D
Solubility	Soluble in Methanol
Appearance	Off-white Solid