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Reference substances

Reference substances

IUPAC name:
1-chloro-3,5-dimethyladamantane

Inventory

CAS number:
707-36-8
Synonyms
Names:
Identifier:
other: SMILES notation
CC12CC3CC(C1)(CC(C3)(C2)Cl)C
Identifier:
other: InChl
InChI=1S/C12H19Cl/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
1-chloro-3,5-dimethyladamantane

Molecular and structural information

Molecular formula:
C12H19Cl
Molecular weight:
198.73
SMILES notation:
CC13CC2(C)CC(Cl)(C1)CC(C2)C3
InChl:
InChI=1/C12H19Cl/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
Structural formula:
Chemical structure

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