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Octyl valerate
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
CCCCCCCCOC(=O)CCCC
0 references
found in taxon
Heracleum dissectum
1 reference
stated in
Composition of the Essential Oil from Heracleum dissectum
Identifiers
InChI
InChI=1S/C13H26O2/c1-3-5-7-8-9-10-12-15-13(14)11-6-4-2/h3-12H2,1-2H3
0 references
InChIKey
OUYCCOBIJYUMAK-UHFFFAOYSA-N
0 references
CAS Registry Number
5451-85-4
1 reference
InChIKey
OUYCCOBIJYUMAK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5451-85-4
PubChem CID
79545
1 reference
matched by identifier from
InChIKey
InChIKey
OUYCCOBIJYUMAK-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL523278
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OUYCCOBIJYUMAK-UHFFFAOYSA-N
UniChem compound ID
25857262
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00202926
1 reference
matched by identifier from
InChIKey
InChIKey
OUYCCOBIJYUMAK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30125417
0 references
NSC number
21870
0 references
UNII
55H4EAM9WA
1 reference
matched by identifier from
InChIKey
InChIKey
OUYCCOBIJYUMAK-UHFFFAOYSA-N
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