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(Q82997212)
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English
3,7-Dimethyloct-6-en-1-yl 3,7-dimethyloct-6-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
biogenic acyclic ester
0 references
mass
308.271530392
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₆O₂
0 references
canonical SMILES
O=C(OCCC(C)CCC=C(C)C)CC(C)CCC=C(C)C
0 references
found in taxon
Pelargonium vitifolium
1 reference
stated in
Composition of the Essential Oil ofPelargonium vitifolium(L.) L'Hérit. (Geraniaceae)
Identifiers
InChI
InChI=1S/C20H36O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9-10,18-19H,7-8,11-15H2,1-6H3
0 references
InChIKey
HUZXZYWMBWQTNX-UHFFFAOYSA-N
0 references
CAS Registry Number
82766-40-3
1 reference
InChIKey
HUZXZYWMBWQTNX-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=82766-40-3
PubChem CID
3086155
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HUZXZYWMBWQTNX-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL13176163
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HUZXZYWMBWQTNX-UHFFFAOYSA-N
UniChem compound ID
42542788
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID001002877
1 reference
matched by identifier from
InChIKey
InChIKey
HUZXZYWMBWQTNX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301429806
0 references
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