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1-(1-adamantylmethyl)-4-(2,3-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID FRxfZneX2Vm
InChI InChI=1S/C28H35NO6/c1-32-23-7-5-6-20(25(23)33-2)24-21(26(30)34-3)14-29(15-22(24)27(31)35-4)16-28-11-17-8-18(12-28)10-19(9-17)13-28/h5-7,14-15,17-19,24H,8-13,16H2,1-4H3/t17-,18+,19-,28-
InChIKey JHUDKXBWWXYKPT-AADAIPAGSA-N
Mol Weight 481.6 g/mol
Molecular Formula C28H35NO6
Exact Mass 481.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 753aEvvp8az
Name 1-(1-adamantylmethyl)-4-(2,3-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 1-(1-adamantylmethyl)-4-(2,3-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO6
InChI InChI=1S/C28H35NO6/c1-32-23-7-5-6-20(25(23)33-2)24-21(26(30)34-3)14-29(15-22(24)27(31)35-4)16-28-11-17-8-18(12-28)10-19(9-17)13-28/h5-7,14-15,17-19,24H,8-13,16H2,1-4H3/t17-,18+,19-,28-
InChIKey JHUDKXBWWXYKPT-AADAIPAGSA-N
Molecular Weight 481.589 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1c(c(OC)ccc1)OC)C(=O)OC
SPLASH splash10-0fr7-9813600000-b032852ff6040395986a
Wiley ID 1443574