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6-Bromohexanoic acid, 2-adamantyl ester

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6-Bromohexanoic acid, 2-adamantyl ester
SpectraBase Compound ID 7damuYKtUdr
InChI InChI=1S/C16H25BrO2/c17-5-3-1-2-4-15(18)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-14,16H,1-10H2/t11-,12+,13-,14+,16-
InChIKey CVLNRJOLXCWHAJ-ZTHLODLZSA-N
Mol Weight 329.28 g/mol
Molecular Formula C16H25BrO2
Exact Mass 328.103793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5B508ThxlPP
Name 6-Bromohexanoic acid, 2-adamantyl ester
Comments Computed using HOSE algorithm
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Exact Mass 328.103793043 u
Formula C16H25BrO2
InChI InChI=1S/C16H25BrO2/c17-5-3-1-2-4-15(18)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-14,16H,1-10H2/t11-,12+,13-,14+,16-
InChIKey CVLNRJOLXCWHAJ-ZTHLODLZSA-N
Molecular Weight 329.278 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2OC(=O)CCCCCBr)(C[C@](C1)(C3)[H])[H])[H])[H]