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Reference substances

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IUPAC name:
ethyl 3-methyl-3-phenyloxirane-2-carboxylate

Inventory

EC number:
201-061-8
EC name:
Ethyl 2,3-epoxy-3-phenylbutyrate
CAS number:
77-83-8
CAS number:
77-83-8
Synonyms
Names:
Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester
Identifier:
IUPAC name
ethyl 2,3-epoxy-3-phenylbutyrate
Identifier:
other: Molecular formula
C12H14O3
Identifier:
other: SMILES notation
CCOC(=O)C1OC1(C)c2ccccc2
Identifier:
other: InChl
InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
Identifier:
other: SMILES notation
O=C(OCC)C(O1)C1(c(cccc2)c2)C
ethyl 3-methyl-3-phenyloxirane-2-carboxylate

Molecular and structural information

Molecular formula:
C₁₂H₁₄O₃
Molecular weight:
ca. 206.238
SMILES notation:
CCOC(=O)C1C(C)(c2ccccc2)O1
InChl:
InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
Structural formula:
Chemical structure

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