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English
8-Methyl-5-(propan-2-yl)nona-5,7-dien-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
194.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₂O
0 references
canonical SMILES
O=C(C)CCC(=CC=C(C)C)C(C)C
0 references
found in taxon
Nicotiana tabacum
1 reference
stated in
A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr
Identifiers
InChI
InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11H,7,9H2,1-5H3
0 references
InChIKey
OECZDEARAHSSQV-UHFFFAOYSA-N
0 references
CAS Registry Number
3668-15-3
0 references
PubChem CID
54145550
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OECZDEARAHSSQV-UHFFFAOYSA-N
UniChem compound ID
25087168
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00709324
1 reference
matched by identifier from
InChIKey
InChIKey
OECZDEARAHSSQV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50660072
0 references
KNApSAcK ID
C00061690
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OECZDEARAHSSQV-UHFFFAOYSA-N
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