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(Q104923540)
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English
octyl (2R)-2-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
214.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₆O₂
0 references
canonical SMILES
O=C(OCCCCCCCC)C(C)CC
0 references
isomeric SMILES
CCCCCCCCOC(=O)[C@H](C)CC
0 references
found in taxon
Anthemis aciphylla
1 reference
stated in
The essential oil constituents and antimicrobial activity of Anthemis aciphylla BOISS. var. discoidea BOISS.
Identifiers
InChI
InChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h12H,4-11H2,1-3H3/t12-/m1/s1
0 references
InChIKey
BCOJVEMHTBSAOE-GFCCVEGCSA-N
0 references
PubChem CID
76959985
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BCOJVEMHTBSAOE-GFCCVEGCSA-N
UniChem compound ID
81777063
1 reference
stated in
UniChem
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