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Reference substances

Reference substances

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IUPAC name:
ethyl 2-methylbutanoate

Inventory

EC number:
231-225-4
EC name:
Ethyl 2-methylbutyrate
CAS number:
7452-79-1
CAS number:
7452-79-1
Synonyms
Names:
Butanoic acid, 2-methyl-, ethyl ester
Identifier:
IUPAC name
Ethyl 2-Methylbutyrate
Identifier:
IUPAC name
Ethyl 2-methylbutyrate
Identifier:
IUPAC name
ethyl 2-methylbutanoate
Identifier:
other: SMILES notation
CCOC(=O)C(C)CC
Identifier:
other: SMILES notation
CH3CH2CH(CH3)COOC2H5
Identifier:
other: InChl
InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
Butanoic acid, 2-methyl-, ethyl ester

Molecular and structural information

Molecular formula:
C7H14O2
Molecular weight:
ca. 130.184
SMILES notation:
O=C(OCC)C(C)CC
InChl:
InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
Structural formula:
Chemical structure

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