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Succinic acid, 2-adamantyl decyl ester
SpectraBase Compound ID 28Ftg7H5zn6
InChI InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-12-27-22(25)10-11-23(26)28-24-20-14-18-13-19(16-20)17-21(24)15-18/h18-21,24H,2-17H2,1H3/t18-,19+,20-,21+,24?
InChIKey JWHCUZOQUOXBMJ-ZYJXMIIYSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBJ9zKtJDxs
Name Succinic acid, 2-adamantyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.292659764 u
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-12-27-22(25)10-11-23(26)28-24-20-14-18-13-19(16-20)17-21(24)15-18/h18-21,24H,2-17H2,1H3/t18-,19+,20-,21+,24?
InChIKey JWHCUZOQUOXBMJ-ZYJXMIIYSA-N
Molecular Weight 392.580 g/mol
SMILES C1(OC(CCC(OCCCCCCCCCC)=O)=O)[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H]