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Heptyl valerate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
200.177630008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₄O₂
0 references
canonical SMILES
CCCCCCCOC(=O)CCCC
0 references
found in taxon
Heracleum dissectum
1 reference
stated in
Composition of the Essential Oil from Heracleum dissectum
Capsicum annuum
1 reference
stated in
Influence of different drying technologies on the volatile components of chilli (<I>Capsicum annuum</I> L.) powder
Identifiers
InChI
InChI=1S/C12H24O2/c1-3-5-7-8-9-11-14-12(13)10-6-4-2/h3-11H2,1-2H3
0 references
InChIKey
YJARPRLGQQFGOI-UHFFFAOYSA-N
0 references
CAS Registry Number
5451-80-9
1 reference
InChIKey
YJARPRLGQQFGOI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5451-80-9
PubChem CID
79544
1 reference
matched by identifier from
InChIKey
InChIKey
YJARPRLGQQFGOI-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL2696955
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YJARPRLGQQFGOI-UHFFFAOYSA-N
UniChem compound ID
25365284
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID2063898
1 reference
matched by identifier from
InChIKey
InChIKey
YJARPRLGQQFGOI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9041732
0 references
NSC number
21862
0 references
AICS Chemical ID (BEING DELETED)
9132
0 references
KNApSAcK ID
C00062151
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YJARPRLGQQFGOI-UHFFFAOYSA-N
UNII
LR3J9VC6SC
1 reference
matched by identifier from
InChIKey
InChIKey
YJARPRLGQQFGOI-UHFFFAOYSA-N
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