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Ethyl phenylacetate-1-[13C]

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General Information
Catalog: BLP-000547
Molecular Formula: C9[13C]H12O2
Molecular Weight: 165.19

Chemical Structure

Description	Ethyl phenylacetate-1-[13C] is the labelled analogue of Ethyl phenylacetate. Ethyl phenylacetate is one of the odour active components in a variety of foods such as mango and soypaste. This makes ethyl phenylacetate a potential biomarker for the consumption of these food products.
Synonyms	SCHEMBL1332625; Ethyl phenylacetate-1-13C; CID 66995733
IUPAC Name	ethyl 2-phenylacetate-1-13C
Related CAS	101-97-3 (unlabelled)
Canonical SMILES	CCOC(=O)CC1=CC=CC=C1
InChI	InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/i10+1
InChI Key	DULCUDSUACXJJC-DETAZLGJSA-N
Boiling Point	229 °C
Purity	98% (CP); 99% atom 13C
Density	1.04 g/mL at 25 °C