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English
(1S)-1-(Cyclohex-1-en-1-yl)-5-oxaspiro[2.5]oct-7-en-4-one
group of stereoisomers with the chemical formula C₁₃H₁₆O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
204.115029752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1OCC=CC12CC2C1=CCCCC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1OCC=CC12C[C@H]2C1=CCCCC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H16O2/c14-12-13(7-4-8-15-12)9-11(13)10-5-2-1-3-6-10/h4-5,7,11H,1-3,6,8-9H2/t11-,13?/m0/s1
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InChIKey
QAWUMKONVRXMGM-AMGKYWFPSA-N
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CAS Registry Number
919299-06-2
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PubChem CID
71425251
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55150030
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70844039
0 references
DSSTOX compound identifier
DTXCID10794781
0 references
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