1-Octanoyl-2-decanoyl-3-chloropropanediol-d5

Product number: 41-3073

CAS number: 2692623-33-7

Synonyms: 1-(Chloromethyl-d2)-2-[(1-oxooctyl)oxy]ethyl-1,2,2-d3 decanoate

Identifiers

CAS Index Name: Decanoic acid, 1-(chloromethyl-d2)-2-[(1-oxooctyl)oxy]ethyl-1,2,2-d3 ester

Molecular formula: C₂₁H₃₄ClD₅O₄

Molecular weight: 396.02

Smiles: O=C(OCC(OC(=O)CCCCCCCCC)CCl)CCCCCCC

Isomeric Smiles: C(C(OC(CCCCCCC)=O)([2H])[2H])(OC(CCCCCCCCC)=O)(C(Cl)([2H])[2H])[2H]

InChI: InChI=1S/C21H39ClO4/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19H,3-18H2,1-2H3/i17D2,18D2,19D

InChIKey: InChIKey=KPYZGJKFXXGJFL-KKPIDSKESA-N

Purity: >98%

Storage: Freezer

Supplied as: Neat

Documentation: Certificate of Analysis

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