| SpectraBase Spectrum ID |
4MziS6I1NxQ |
| Name |
1,2,3,4,5,6-Hexahydro-1,5-imino-9,10-dimethoxy-3,8,11-trimethyl-4-oxo-3-benzazocine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.163042573 u |
| Formula |
C16H22N2O3 |
| InChI |
InChI=1S/C16H22N2O3/c1-9-6-10-7-11-16(19)17(2)8-12(18(11)3)13(10)15(21-5)14(9)20-4/h6,11-12H,7-8H2,1-5H3/t11-,12-/m0/s1 |
| InChIKey |
RYVRGOHJWIVHHU-RYUDHWBXSA-N |
| SMILES |
[C@@]12(N([C@@](CC=3C=C(C(=C(C23)OC)OC)C)(C(N(C)C1)=O)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90264 |
