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3-Bromobenzoic acid, 2-(1-adamantyl)ethyl ester

View entire compound with spectra: 1 NMR

3-Bromobenzoic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID DBem7ebhqnF
InChI InChI=1S/C19H23BrO2/c20-17-3-1-2-16(9-17)18(21)22-5-4-19-10-13-6-14(11-19)8-15(7-13)12-19/h1-3,9,13-15H,4-8,10-12H2/t13-,14+,15-,19+
InChIKey VFBMYLZULMICRU-IZUZZMAOSA-N
Mol Weight 363.3 g/mol
Molecular Formula C19H23BrO2
Exact Mass 362.088143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8Nd3hSDMoK
Name 3-Bromobenzoic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.088142979 u
Formula C19H23BrO2
InChI InChI=1S/C19H23BrO2/c20-17-3-1-2-16(9-17)18(21)22-5-4-19-10-13-6-14(11-19)8-15(7-13)12-19/h1-3,9,13-15H,4-8,10-12H2/t13-,14+,15-,19+
InChIKey VFBMYLZULMICRU-IZUZZMAOSA-N
Molecular Weight 363.295 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)C1=CC=CC(=C1)Br)[H]