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2-Furancarboxylic acid, 1-adamantylmethyl ester

View entire compound with spectra: 1 NMR

2-Furancarboxylic acid, 1-adamantylmethyl ester
SpectraBase Compound ID tMmupTSEIC
InChI InChI=1S/C16H20O3/c17-15(14-2-1-3-18-14)19-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2/t11-,12+,13-,16-
InChIKey ADNYGNDWWCWHPK-WTHWONHRSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKwxgv6tqI0
Name 2-Furancarboxylic acid, 1-adamantylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 260.141244501 u
Formula C16H20O3
InChI InChI=1S/C16H20O3/c17-15(14-2-1-3-18-14)19-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2/t11-,12+,13-,16-
InChIKey ADNYGNDWWCWHPK-WTHWONHRSA-N
Molecular Weight 260.333 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)C=1OC=CC1)[H]