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2-(1-Adamantyl)ethyl dichloroacetate
SpectraBase Compound ID LqIWjkvC7D
InChI InChI=1S/C14H20Cl2O2/c15-12(16)13(17)18-2-1-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,1-8H2/t9-,10+,11-,14+
InChIKey PPFWJGLJGLLILY-SYGDLNSRSA-N
Mol Weight 291.22 g/mol
Molecular Formula C14H20Cl2O2
Exact Mass 290.084035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8da3Q2EzoE
Name 2-(1-Adamantyl)ethyl dichloroacetate
Alternate Name(s) Dichloroacetic acid, 2-(1-adamantyl)ethyl ester 2-(1-adamantyl)ethyl 2,2-dichloroacetate 2-(1-adamantyl)ethyl 2,2-bis(chloranyl)ethanoate
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Formula C14H20Cl2O2
InChI InChI=1S/C14H20Cl2O2/c15-12(16)13(17)18-2-1-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-12H,1-8H2/t9-,10+,11-,14+
InChIKey PPFWJGLJGLLILY-SYGDLNSRSA-N
Molecular Weight 291.218 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(C(Cl)Cl)=O)[H]
SPLASH splash10-000i-4900000000-7e0d72c2075e77a03ec7
Source of Spectrum NP-9-5002-0
Wiley ID 1108170