| SpectraBase Spectrum ID |
C2TK2N1lcop |
| Name |
Methyl [(4as,8R,8as)-1-oxo-2-phenethyl-1,2,3,4,4A,7,8,8A-octahydroisoquinoline-8-carbonyl]-L-alaninate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.204907386 u |
| Formula |
C22H28N2O4 |
| InChI |
InChI=1S/C22H28N2O4/c1-15(22(27)28-2)23-20(25)18-10-6-9-17-12-14-24(21(26)19(17)18)13-11-16-7-4-3-5-8-16/h3-9,15,17-19H,10-14H2,1-2H3,(H,23,25)/t15-,17+,18+,19-/m0/s1 |
| InChIKey |
MWEXQWINIPDIBO-AITUJVMLSA-N |
| Molecular Weight |
384.476 g/mol |
| SMILES |
C([C@@](NC(=O)[C@@]1(CC=C[C@]2([C@@]1(C(N(CC2)CCC1=CC=CC=C1)=O)[H])[H])[H])(C)[H])(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965581 |
![Methyl [(4as,8R,8as)-1-oxo-2-phenethyl-1,2,3,4,4A,7,8,8A-octahydroisoquinoline-8-carbonyl]-L-alaninate](/api/spectrum/C2TK2N1lcop/structure.png?h=300&w=458 "Methyl [(4as,8R,8as)-1-oxo-2-phenethyl-1,2,3,4,4A,7,8,8A-octahydroisoquinoline-8-carbonyl]-L-alaninate")
