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Reference substances

Reference substances

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IUPAC name:
1-benzyl-2-methylbenzene; 1-benzyl-3-methylbenzene; 1-benzyl-4-methylbenzene

Inventory

EC number:
248-654-8
EC name:
Benzyltoluene
CAS number:
27776-01-8
CAS number:
27776-01-8
Synonyms
Names:
Reaction mass of 1-benzyl-2-methylbenzene and 1-benzyl-3-methylbenzene and 1-benzyl-4-methylbenzene

Molecular and structural information

Molecular formula:
C14H14
Molecular weight:
182.26
SMILES notation:
Cc2ccccc2Cc1ccccc1
Cc2cccc(Cc1ccccc1)c2
Cc2ccc(Cc1ccccc1)cc2
InChl:
InChI=1/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI=1/C14H14/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChI=1/C14H14/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
Structural formula:
Chemical structure

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