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(Q82639430)
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(4-Octylphenyl)acetaldehyde
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
232.3618
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₄O
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canonical SMILES
CCCCCCCCC1=CC=C(C=C1)CC=O
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Identifiers
InChI
InChI=1S/C16H24O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12,14H,2-8,13H2,1H3
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InChIKey
CELVXMWBYKBFDM-UHFFFAOYSA-N
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CAS Registry Number
88255-14-5
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PubChem CID
53716894
1 reference
matched by identifier from
InChIKey
InChIKey
CELVXMWBYKBFDM-UHFFFAOYSA-N
UniChem compound ID
25082300
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00706156
1 reference
matched by identifier from
InChIKey
InChIKey
CELVXMWBYKBFDM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40656904
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