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Structure

Ethyl tetradecanoate-d27

CAS
1113009-11-2
Catalog Number
ACM1113009112
Category
Other Products
Molecular Weight
283.59
Molecular Formula
C16H5D27O2

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Specification

Synonyms
Ethyl myristate-D27
IUPAC Name
ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoate
Canonical SMILES
CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C
InChI
InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3/i1D3,3D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
InChI Key
MMKRHZKQPFCLLS-XTVIBXJLSA-N
Chemical Formula
CD3(CD2)12COOCH2CH3
EC Number
200-636-0
Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC
Stability
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions
Store at room temperature
UN Number
2588
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