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Methyl 4-iodobenzoate-(ring-[13C6])

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General Information
Catalog: BLP-001036
Molecular Formula: C2[13C]6H7IO2
Molecular Weight: 268.00

Chemical Structure

IUPAC Name	methyl 4-iodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
Related CAS	619-44-3 (unlabelled)
Canonical SMILES	COC(=O)C1=CC=C(C=C1)I
InChI	InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1
InChI Key	DYUWQWMXZHDZOR-WBJZHHNVSA-N
Melting Point	112-116 °C
Purity	98% by CP; 99% atom 13C