| SpectraBase Spectrum ID |
AQMi0YoKGwz |
| Name |
3-Benzoyl-8,9-dimethoxy-2,3,4,5-tetrahydro-3-benzazocin-6(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.147058156 u |
| Formula |
C20H21NO4 |
| InChI |
InChI=1S/C20H21NO4/c1-24-18-12-15-8-10-21(20(23)14-6-4-3-5-7-14)11-9-17(22)16(15)13-19(18)25-2/h3-7,12-13H,8-11H2,1-2H3 |
| InChIKey |
OLFRKPXPIGDCGB-UHFFFAOYSA-N |
| Molecular Weight |
339.391 g/mol |
| SMILES |
C1N(CCC(C=2C=C(C(=CC2C1)OC)OC)=O)C(C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.889242 |
