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Strategies to access the [5-8] bicyclic core encountered in the sesquiterpene, diterpene and sesterterpene series

Cécile Alleman, Charlène Gadais, Laurent Legentil and François-Hugues Porée

Beilstein J. Org. Chem. 2023, 19, 245–281. https://doi.org/10.3762/bjoc.19.23

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Chemical structure C<sub>8</sub>H<sub>10</sub>BrNO

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Extracted from

Scheme 25

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₁₀BrNO
Molecular Weight	216.07 g/mol
Exact Mass	214.9946 Da
InChI	InChI=1S/C8H10BrNO/c1-5(4-10)6-2-3-7(11)8(6)9/h5-6,8H,2-3H2,1H3/t5-,6-,8?/m0/s1
InChIKey	MXQDXOYDIMUANE-AJFZSALYSA-N
SMILES	C[C@@H](C#N)[C@]1([H])CCC(=O)C1Br
Number of Atoms	21
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	1
XLogP	0.8

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