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1-[2-(1-adamantyloxy)ethyl]-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 1FYXJe6Dbn9
InChI InChI=1S/C28H33NO7/c1-32-26(30)21-14-29(5-6-36-28-11-17-7-18(12-28)9-19(8-17)13-28)15-22(27(31)33-2)25(21)20-3-4-23-24(10-20)35-16-34-23/h3-4,10,14-15,17-19,25H,5-9,11-13,16H2,1-2H3
InChIKey JFWVUNSLOAGLEN-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C28H33NO7
Exact Mass 495.225702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0GtJ7IOkNG
Name 1-[2-(1-adamantyloxy)ethyl]-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33NO7
InChI InChI=1S/C28H33NO7/c1-32-26(30)21-14-29(5-6-36-28-11-17-7-18(12-28)9-19(8-17)13-28)15-22(27(31)33-2)25(21)20-3-4-23-24(10-20)35-16-34-23/h3-4,10,14-15,17-19,25H,5-9,11-13,16H2,1-2H3
InChIKey JFWVUNSLOAGLEN-UHFFFAOYSA-N
Molecular Weight 495.572 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCOC12CC3CC(C2)CC(C1)C3)c1cc2OCOc2cc1)C(=O)OC
SPLASH splash10-009i-9715000000-637b66e0f273e09a1bed
Wiley ID 1463985