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(Q82000423)
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English
3-Hepten-2-one, 5-ethyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
140.120115132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₆O
0 references
canonical SMILES
O=C(C=CC(CC)CC)C
0 references
found in taxon
Nicotiana tabacum
1 reference
stated in
Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves
Identifiers
InChI
InChI=1S/C9H16O/c1-4-9(5-2)7-6-8(3)10/h6-7,9H,4-5H2,1-3H3
0 references
InChIKey
MTNXTOAQNAWJRM-UHFFFAOYSA-N
0 references
CAS Registry Number
71648-42-5
1 reference
InChIKey
MTNXTOAQNAWJRM-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=71648-42-5
PubChem CID
98145
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MTNXTOAQNAWJRM-UHFFFAOYSA-N
UniChem compound ID
24371693
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID6072398
1 reference
matched by identifier from
InChIKey
InChIKey
MTNXTOAQNAWJRM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID0047080
0 references
NSC number
82314
0 references
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