| SpectraBase Spectrum ID |
7zkyy2E7f39 |
| Name |
cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-7-carbomethoxy-9H-tribenzo[b,f]azepine |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21NO2 |
| InChI |
InChI=1S/C21H21NO2/c1-24-21(23)14-8-9-16-18(11-14)22-17-5-3-2-4-15(17)19-12-6-7-13(10-12)20(16)19/h2-5,8-9,11-13,19-20,22H,6-7,10H2,1H3/t12-,13+,19-,20+/m1/s1 |
| InChIKey |
WMGQWKHDHQCPSL-RDPGKOORSA-N |
| Molecular Weight |
319.404 g/mol |
| SMILES |
N1c2cc(ccc2[C@]2([C@@](c3ccccc13)([C@@]1(CC[C@]2(C1)[H])[H])[H])[H])C(OC)=O |
| SPLASH |
splash10-0uy0-0095000000-8b1e26f4796f049065e4 |
| Source of Spectrum |
CCC-10-SM10-3h |
| Synonyms |
Methyl (1R,4S,4aR,13bS)-2,3,4,4a,9,13b-hexahydro-1H-1,4-methanotribenzo[b,d,f]azepine-7-carboxylate |
| Wiley ID |
1812693 |
![cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-7-carbomethoxy-9H-tribenzo[b,f]azepine](/api/spectrum/7zkyy2E7f39/structure.png?h=300&w=458 "cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-7-carbomethoxy-9H-tribenzo[b,f]azepine")
