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Pyrene-[13C16]

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General Information
Catalog: BLP-001215
CAS: 1228182-40-8
Molecular Formula: [13C]16H10
Molecular Weight: 218.13

Chemical Structure

Description	Pyrene-[13C16] is an isotope form of Pyrene. Pyrene is a polycyclic aromatic hydrocarbon consisting of four fused benzene rings, resulting in a flat aromatic system. Pyrene occurs in coal tar. Also obtained by the destructive hydrogenation of hard coal.
Synonyms	Benzo[def]phenanthrene-13C16
IUPAC Name	pyrene
Related CAS	129-00-0 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C]2=[13C]3[13C](=[13CH]1)[13CH]=[13CH][13C]4=[13CH][13CH]=[13CH][13C](=[13C]43)[13CH]=[13CH]2
Canonical SMILES	C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
InChI	InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1
InChI Key	BBEAQIROQSPTKN-BZDICNBSSA-N
Melting Point	145-148 °C (lit.)
Purity	98% by CP; 99% atom 13C