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(Q105024778)
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English
(2S)-undecan-2-yl acetate
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(OC(C)CCCCCCCCC)C
0 references
isomeric SMILES
CCCCCCCCC[C@H](C)OC(C)=O
0 references
found in taxon
Ruta graveolens
1 reference
stated in
DAS ÄTHERISCHE ÖL DER CALLUSKULTUREN VONRUTA GRAVEOLENS
Identifiers
InChI
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-12(2)15-13(3)14/h12H,4-11H2,1-3H3/t12-/m0/s1
0 references
InChIKey
HABRKYMFOVMIBP-LBPRGKRZSA-N
0 references
PubChem CID
11274230
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HABRKYMFOVMIBP-LBPRGKRZSA-N
UniChem compound ID
53705270
1 reference
stated in
UniChem
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