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Reference substances

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IUPAC name:
Reaction Mass of rel‐(3aR,4R,7R,7aR)‐2,4‐dimethyloctahydro‐5H‐4,7‐methanoinden‐5‐one and rel‐(3aR,4R,7R,7aR)‐3,4‐dimethyloctahydro‐5H‐4,7‐methanoinden‐5‐one

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C12H18O
Molecular weight:
178.27
SMILES notation:
CC1C[C@H]2[C@@H](C1)[C@@H]1CC(=O)[C@@]2(C)C1
CC1CC[C@H]2[C@@H]3CC(=O)[C@@](C)(C3)[C@@H]12
InChl:
InChI=1S/C12H18O/c1-7-3-9-8-5-11(13)12(2,6-8)10(9)4-7/h7-10H,3-6H2,1-2H3/t7?,8-,9+,10+,12+/m1/s1
InChI=1S/C12H18O/c1-7-3-4-9-8-5-10(13)12(2,6-8)11(7)9/h7-9,11H,3-6H2,1-2H3/t7?,8-,9+,11+,12-/m1/s1
Structural formula:
Chemical structure

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