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(Q82866465)
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English
Propanoic acid, 2-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
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subclass of
(-)-Menthyl isobutyrate
1 reference
based on heuristic
inferred from InChIKey
mass
226.193280072
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₄H₂₆O₂
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canonical SMILES
CC1CCC(C(C)C)C(OC(=O)C(C)C)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)C)C(C)C
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Identifiers
InChI
InChI=1S/C14H26O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h9-13H,6-8H2,1-5H3/t11-,12+,13-/m1/s1
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InChIKey
CSZKNSMAMITXAD-FRRDWIJNSA-N
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CAS Registry Number
68366-65-4
1 reference
InChIKey
CSZKNSMAMITXAD-FRRDWIJNSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=68366-65-4
PubChem CID
9837467
1 reference
matched by identifier from
InChIKey
InChIKey
CSZKNSMAMITXAD-FRRDWIJNSA-N
UniChem compound ID
33386892
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70887340
1 reference
matched by identifier from
InChIKey
InChIKey
CSZKNSMAMITXAD-FRRDWIJNSA-N
DSSTOX compound identifier
DTXCID201026641
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