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Reference substances

Reference substances

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General information

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Reference substance information

IUPAC name:
C6-C7 isoalkanes

Molecular and structural information

Molecular formula:
C6H14 and C7H16
Molecular weight:
>= 86.2 - <= 100.2
SMILES notation:
CCC(C)(C)C
CC(C)C(C)C
CC(C)CCC
CCC(C)CC
CCC(CC)CC
CC(C)(C)C(C)C
CC(C)(C)CCC
CC(C)CC(C)C
CCC(C)(C)CC
CC(C)C(C)CC
CCC(C)CCC
CC(C)CCCC
InChl:
InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3
InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3
InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
Structural formula:
Chemical structure