| SpectraBase Spectrum ID |
EffLfI0hNJ7 |
| Name |
1-(1-Adamantylmethyl)-4-(3,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.246437845 u |
| Formula |
C28H35NO6 |
| InChI |
InChI=1S/C28H35NO6/c1-32-23-6-5-20(10-24(23)33-2)25-21(26(30)34-3)14-29(15-22(25)27(31)35-4)16-28-11-17-7-18(12-28)9-19(8-17)13-28/h5-6,10,14-15,17-19,25H,7-9,11-13,16H2,1-4H3 |
| InChIKey |
FCNKFKRKGFRUHG-UHFFFAOYSA-N |
| Molecular Weight |
481.589 g/mol |
| SMILES |
C=1(C(C(C(=O)OC)=CN(C1)CC12CC3CC(C2)CC(C1)C3)C=1C=C(OC)C(=CC1)OC)C(=O)OC |
