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(Q76386349)
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English
isobutylcitral
chemical compound
(2E,6E)-3,7,9-trimethyldeca-2,6-dienal
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Statements
instance of
type of chemical entity
0 references
subclass of
3,7,9-trimethyl-2,6-decadien-1-al
0 references
mass
194.167065324
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₂₂O
0 references
canonical SMILES
CC(C)CC(=CCCC(=CC=O)C)C
0 references
isomeric SMILES
CC(C)C/C(=C/CC/C(=C/C=O)/C)/C
0 references
Identifiers
InChI
InChI=1S/C13H22O/c1-11(2)10-13(4)7-5-6-12(3)8-9-14/h7-9,11H,5-6,10H2,1-4H3/b12-8+,13-7+
0 references
InChIKey
INLBYQNSKXMVTI-SWZPTJTJSA-N
0 references
CAS Registry Number
58605-97-3
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
3,7,9-trimethyl-2,6-decadien-1-al
0 references
2260983-10-4
1 reference
stated in
SciFinder
PubChem CID
6436719
1 reference
matched by identifier from
InChIKey
InChIKey
INLBYQNSKXMVTI-SWZPTJTJSA-N
UniChem compound ID
47241118
1 reference
stated in
UniChem
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