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(Q83115163)
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English
1,3-Benzodioxol-5-ylmethyl isovalerate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
236.104858992
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₆O₄
0 references
canonical SMILES
CC(C)CC(=O)OCC1=CC2=C(C=C1)OCO2
0 references
Identifiers
InChI
InChI=1S/C13H16O4/c1-9(2)5-13(14)15-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3
0 references
InChIKey
HETOAXKLYRCONC-UHFFFAOYSA-N
0 references
CAS Registry Number
84604-42-2
1 reference
InChIKey
HETOAXKLYRCONC-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=84604-42-2
PubChem CID
95949
1 reference
matched by identifier from
InChIKey
InChIKey
HETOAXKLYRCONC-UHFFFAOYSA-N
UniChem compound ID
12506472
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50233583
1 reference
matched by identifier from
InChIKey
InChIKey
HETOAXKLYRCONC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80156074
0 references
NSC number
44520
0 references
UNII
S9DUF9JXW8
1 reference
matched by identifier from
InChIKey
InChIKey
HETOAXKLYRCONC-UHFFFAOYSA-N
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