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Dimethyl triamantane-9,15-dicarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Dimethyl triamantane-9,15-dicarboxylate
SpectraBase Compound ID DCNWudKN5qH
InChI InChI=1S/C22H28O4/c1-25-18(23)20-4-12-10-3-11-14-6-21(19(24)26-2)7-15(11)17(13(10)5-20)22(8-20,9-21)16(12)14/h10-17H,3-9H2,1-2H3
InChIKey NVXPWCIKEZJQPV-UHFFFAOYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FeVT92ovtJy
Name Dimethyl triamantane-9,15-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 356.198759378 u
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-25-18(23)20-4-12-10-3-11-14-6-21(19(24)26-2)7-15(11)17(13(10)5-20)22(8-20,9-21)16(12)14/h10-17H,3-9H2,1-2H3
InChIKey NVXPWCIKEZJQPV-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES C123C4C5C6CC7C4CC(C1)(C(=O)OC)CC7C2C6CC(C3)(C(=O)OC)C5