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Fumaric acid, 2-adamantyl ethyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-adamantyl ethyl ester
SpectraBase Compound ID 83xRQdwaOdT
InChI InChI=1S/C16H22O4/c1-2-19-14(17)3-4-15(18)20-16-12-6-10-5-11(8-12)9-13(16)7-10/h3-4,10-13,16H,2,5-9H2,1H3/b4-3+/t10-,11+,12-,13+,16?
InChIKey RTLHFGVUYDHAPA-DFXAJURTSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1EVc4pw8ng8
Name Fumaric acid, 2-adamantyl ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-2-19-14(17)3-4-15(18)20-16-12-6-10-5-11(8-12)9-13(16)7-10/h3-4,10-13,16H,2,5-9H2,1H3/b4-3+/t10-,11+,12-,13+,16?
InChIKey RTLHFGVUYDHAPA-DFXAJURTSA-N
Molecular Weight 278.348 g/mol
SMILES C(\C=C\C(OC1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])=O)(OCC)=O