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(Q82865796)
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English
3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
mass
212.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₀O₃
0 references
canonical SMILES
O=C(OC1CCC(OC1(C)C)(C=C)C)C
0 references
found in taxon
Tanacetum boreale
1 reference
stated in
Composition of the essential oil ofTanacetum vulgare
Tanacetum vulgare
1 reference
stated in
Composition of the essential oil ofTanacetum vulgare
Identifiers
InChI
InChI=1S/C12H20O3/c1-6-12(5)8-7-10(14-9(2)13)11(3,4)15-12/h6,10H,1,7-8H2,2-5H3
0 references
InChIKey
IRWLDXUJBJPFNV-UHFFFAOYSA-N
0 references
CAS Registry Number
67674-42-4
1 reference
InChIKey
IRWLDXUJBJPFNV-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=67674-42-4
PubChem CID
92524
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IRWLDXUJBJPFNV-UHFFFAOYSA-N
UniChem compound ID
58499008
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90886855
1 reference
matched by identifier from
InChIKey
InChIKey
IRWLDXUJBJPFNV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID901026173
0 references
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