| SpectraBase Spectrum ID |
9F3cwPP5kYu |
| Name |
9-Azabicyclo[6.2.2]dodeca-8,10,11-triene-11,12-dicarboxylic acid, 10-(4-chlorophenyl)-, dimethyl ester |
| CAS Registry Number |
104698-66-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22ClNO4 |
| InChI |
InChI=1S/C21H22ClNO4/c1-26-20(24)17-15-7-5-3-4-6-8-16(18(17)21(25)27-2)23-19(15)13-9-11-14(22)12-10-13/h9-12H,3-8H2,1-2H3 |
| InChIKey |
FPCVXNZDVKHUQQ-UHFFFAOYSA-N |
| Molecular Weight |
387.863 g/mol |
| SMILES |
c1(c(c2CCCCCCc1c(n2)-c1ccc(cc1)Cl)C(=O)OC)C(=O)OC |
| SPLASH |
splash10-000i-0009000000-4e139f3c2eb2853b9fcd |
| Source of Spectrum |
AJ-58-3103-13 |
| Synonyms |
2-(4-Chlorophenyl)-4,5-di(methoxycarbonyl)-3,6-hexanopyridine
dimethyl 10-(4-chlorophenyl)-9-azabicyclo[6.2.2]dodeca-1(10),8,11-triene-11,12-dicarboxylate |
| Wiley ID |
1363384 |
![9-Azabicyclo[6.2.2]dodeca-8,10,11-triene-11,12-dicarboxylic acid, 10-(4-chlorophenyl)-, dimethyl ester](/api/spectrum/9F3cwPP5kYu/structure.png?h=300&w=458 "9-Azabicyclo[6.2.2]dodeca-8,10,11-triene-11,12-dicarboxylic acid, 10-(4-chlorophenyl)-, dimethyl ester")
