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Phenylcyclohexane-[13C12,d16]

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General Information
Catalog: BLP-001166
Molecular Formula: [13C]12D16
Molecular Weight: 188.27

Chemical Structure

Description	Labelled form of Phenylcyclohexane.
Synonyms	Cyclohexylbenzene-13C12,d16
IUPAC Name	1,1,2,2,3,3,4,4,5,5,6-undecadeuterio-6-(2,3,4,5,6-pentadeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-13C6)cyclohexane
Related CAS	827-52-1 (unlabelled)
Canonical SMILES	C1CCC(CC1)C2=CC=CC=C2
InChI	InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2/i1+1D,2+1D2,3+1D,4+1D,5+1D2,6+1D2,7+1D,8+1D,9+1D2,10+1D2,11+1,12+1D
InChI Key	IGARGHRYKHJQSM-NMPGWPKMSA-N
Boiling Point	239-240 °C (lit.)
Melting Point	4-7 °C (lit.)
Purity	98% by CP; 99% atom 13C
Density	1.112 g/mL at 25 °C