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4'-Chlorobutyl adamantane-1-carboxylate
SpectraBase Compound ID BrGFj4q9IBt
InChI InChI=1S/C15H23ClO2/c16-3-1-2-4-18-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2/t11-,12+,13-,15-
InChIKey PTZGICIMDSJWBR-BVMXXOESSA-N
Mol Weight 270.8 g/mol
Molecular Formula C15H23ClO2
Exact Mass 270.138658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2Ezq1X5h6T
Name 4'-Chlorobutyl adamantane-1-carboxylate
Alternate Name(s) 4-Chlorobutyl 1-adamantanecarboxylate 1-Adamantanecarboxylic acid 4-chlorobutyl ester 4-Chlorobutyl adamantane-1-carboxylate 4-Chloranylbutyl adamantane-1-carboxylate
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Formula C15H23ClO2
InChI InChI=1S/C15H23ClO2/c16-3-1-2-4-18-14(17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2/t11-,12+,13-,15-
InChIKey PTZGICIMDSJWBR-BVMXXOESSA-N
Molecular Weight 270.800 g/mol
SMILES C12(C(=O)OCCCCCl)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-4900000000-fe19a1f0b9e5d0b72bec
Source of Spectrum Y2-71-720-14
Wiley ID 1587599