| SpectraBase Spectrum ID |
82Tv5sXVVm9 |
| Name |
10-Formyl-1,2,3,4,5,6-hexahydro-1,5-imino-9-methoxy-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 |
288.147392509 u |
| Formula |
C16H20N2O3 |
| InChI |
InChI=1S/C16H20N2O3/c1-9-5-10-6-12-16(20)17(2)7-13(18(12)3)14(10)11(8-19)15(9)21-4/h5,8,12-13H,6-7H2,1-4H3/t12-,13-/m0/s1 |
| InChIKey |
NJVVIMCACFPKPA-STQMWFEESA-N |
| SMILES |
[C@@]12(N([C@@](CN(C2=O)C)(C=2C(=C(OC)C(=CC2C1)C)C=O)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966244 |
