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(Q82908500)
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English
1-(6,6-Dimethylbicyclo[3.1.0]hexan-3-yl)ethyl N,N-diethylglycinate
group of stereoisomers with the chemical formula C₁₆H₂₉NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
267.219829168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₉NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCN(CC)CC(=O)OC(C)C1CC2C(C1)C2(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCN(CC)CC(=O)O[C@@H](C)C1CC2[C@@H](C1)C2(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H29NO2/c1-6-17(7-2)10-15(18)19-11(3)12-8-13-14(9-12)16(13,4)5/h11-14H,6-10H2,1-5H3/t11-,12?,13+,14?/m0/s1
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InChIKey
PKLXSPBSNPBFDV-RJZJGCCBSA-N
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CAS Registry Number
146086-99-9
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PubChem CID
5747408
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54102830
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80932759
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DSSTOX compound identifier
DTXCID001361441
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