| SpectraBase Spectrum ID |
5P6UVfeBwjd |
| Name |
(1R,9ar)-Octahydro-2H-quinolizin-1-ylmethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.073221188 u |
| Formula |
C20H22BrNO4 |
| InChI |
InChI=1S/C20H22BrNO4/c21-15-6-7-18-14(10-15)11-16(20(24)26-18)19(23)25-12-13-4-3-9-22-8-2-1-5-17(13)22/h6-7,10-11,13,17H,1-5,8-9,12H2/t13-,17+/m0/s1 |
| InChIKey |
AITKOWBLVUPZPO-SUMWQHHRSA-N |
| Molecular Weight |
420.303 g/mol |
| SMILES |
C=1(C(OC=2C(C1)=CC(=CC2)Br)=O)C(OC[C@]1([C@@]2(N(CCCC2)CCC1)[H])[H])=O |
