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(Q104961268)
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English
(1r,4r)-1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane-1-carbonitrile
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
231.1986998
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₅N
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canonical SMILES
N#CC1(C)CCC(C(=CC=CC(C)C)C)CC1
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isomeric SMILES
C/C(=C/C=C/C(C)C)[C@H]1CC[C@](C)(C#N)CC1
1 reference
based on heuristic
inferred from InChI
found in taxon
Axinyssa isabela
1 reference
stated in
Sesquiterpenes from the sponge Axinyssa isabela.
Identifiers
InChI
InChI=1S/C16H25N/c1-13(2)6-5-7-14(3)15-8-10-16(4,12-17)11-9-15/h5-7,13,15H,8-11H2,1-4H3/b6-5+,14-7-/t15-,16-
0 references
InChIKey
CJKGYZTWQDYRJY-QXDZMYHUSA-N
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