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6-Bromohexanoic acid, 2-(1-adamantyl)ethyl ester

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6-Bromohexanoic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID EKxgMaTyXZK
InChI InChI=1S/C18H29BrO2/c19-6-3-1-2-4-17(20)21-7-5-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2/t14-,15+,16-,18+
InChIKey OOIMLOFFHXOKBI-OMPZMXGASA-N
Mol Weight 357.33 g/mol
Molecular Formula C18H29BrO2
Exact Mass 356.135093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmlTVSyO6tD
Name 6-Bromohexanoic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.135093172 u
Formula C18H29BrO2
InChI InChI=1S/C18H29BrO2/c19-6-3-1-2-4-17(20)21-7-5-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2/t14-,15+,16-,18+
InChIKey OOIMLOFFHXOKBI-OMPZMXGASA-N
Molecular Weight 357.332 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)CCCCCBr)[H]