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(Q81985124)
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English
3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
206.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C(C)=CC1=C(C)CCCC1(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3
0 references
InChIKey
NSSHGPBKKVJJMM-UHFFFAOYSA-N
0 references
CAS Registry Number
79-89-0
1 reference
InChIKey
NSSHGPBKKVJJMM-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=79-89-0
PubChem CID
97996
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NSSHGPBKKVJJMM-UHFFFAOYSA-N
UniChem compound ID
27025808
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID0052544
1 reference
matched by identifier from
InChIKey
InChIKey
NSSHGPBKKVJJMM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID7031117
0 references
NSC number
66433
0 references
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