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3,5-Dimethyl 4-{4-[5-(adamantan-1-yl)furan-2-amido]phenyl}-2,6-dimethylpyridine-3,5-dicarboxylate
SpectraBase Compound ID 5yOnaCbHUM1
InChI InChI=1S/C32H34N2O6/c1-17-26(30(36)38-3)28(27(18(2)33-17)31(37)39-4)22-5-7-23(8-6-22)34-29(35)24-9-10-25(40-24)32-14-19-11-20(15-32)13-21(12-19)16-32/h5-10,19-21H,11-16H2,1-4H3,(H,34,35)/t19-,20+,21-,32-
InChIKey SCYPCQRGOQUQFX-VWXHXNOZSA-N
Mol Weight 542.6 g/mol
Molecular Formula C32H34N2O6
Exact Mass 542.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vl5n8szEVn
Name 3,5-Dimethyl 4-{4-[5-(adamantan-1-yl)furan-2-amido]phenyl}-2,6-dimethylpyridine-3,5-dicarboxylate
Alternate Name(s) 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-[4-[[(5-tricyclo[3.3.1.1(3,7)]dec-1-yl-2-furanyl)carbonyl]amino]phenyl]-, dimethyl ester 4-[4-[[[5-(1-adamantyl)-2-furanyl]-oxomethyl]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 4-[4-[[5-(1-adamantyl)furan-2-carbonyl]amino]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate Dimethyl 4-[4-[[5-(1-adamantyl)furan-2-carbonyl]amino]phenyl]-2,6-dimethyl-pyridine-3,5-dicarboxylate Dimethyl 4-[4-[[5-(1-adamantyl)furan-2-yl]carbonylamino]phenyl]-2,6-dimethyl-pyridine-3,5-dicarboxylate
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Formula C32H34N2O6
InChI InChI=1S/C32H34N2O6/c1-17-26(30(36)38-3)28(27(18(2)33-17)31(37)39-4)22-5-7-23(8-6-22)34-29(35)24-9-10-25(40-24)32-14-19-11-20(15-32)13-21(12-19)16-32/h5-10,19-21H,11-16H2,1-4H3,(H,34,35)/t19-,20+,21-,32-
InChIKey SCYPCQRGOQUQFX-VWXHXNOZSA-N
Molecular Weight 542.632 g/mol
SMILES N(C(c1oc(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])cc1)=O)c1ccc(-c2c(C(=O)OC)c(nc(c2C(=O)OC)C)C)cc1
SPLASH splash10-004i-9780020000-c6a7275f2e479bc4c022
Source of Spectrum IY-2-5050-6
Wiley ID 1658489