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Succinic acid, cyclohexylmethyl adamant-2-yl ester
SpectraBase Compound ID 2SCVirUY248
InChI InChI=1S/C21H32O4/c22-19(24-13-14-4-2-1-3-5-14)6-7-20(23)25-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-18,21H,1-13H2/t15-,16+,17-,18+,21?
InChIKey FXYYPDGIDRCHAR-NTJGTUKMSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NxSG8zZ4Zm
Name Succinic acid, cyclohexylmethyl adamant-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.230059506 u
Formula C21H32O4
InChI InChI=1S/C21H32O4/c22-19(24-13-14-4-2-1-3-5-14)6-7-20(23)25-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-18,21H,1-13H2/t15-,16+,17-,18+,21?
InChIKey FXYYPDGIDRCHAR-NTJGTUKMSA-N
Molecular Weight 348.483 g/mol
SMILES C(CC(OCC1CCCCC1)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O