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Benzyl cyanide-[13C2]

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General Information
Catalog: BLP-000069
CAS: 286425-40-9
Molecular Formula: C6[13C]2H7N
Molecular Weight: 119.13

Chemical Structure

Synonyms	Phenylacetonitrile-1,2-13C2
IUPAC Name	2-phenylacetonitrile-13C2
Related CAS	140-29-4 (unlabelled)
Isomeric SMILES	C1=CC=C(C=C1)[13CH2][13C]#N
Canonical SMILES	C1=CC=C(C=C1)CC#N
InChI	InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2/i6+1,7+1
InChI Key	SUSQOBVLVYHIEX-AKZCFXPHSA-N
Boiling Point	233-234 °C (lit.)
Melting Point	-24 °C (lit.)
Purity	99% atom 13C
Density	1.032 g/mL at 25 °C
Appearance	Liquid