| SpectraBase Spectrum ID |
J1WAwQjEyff |
| Name |
3-Benzazocin-2(1H)-one, 3,4,5,6-tetrahydro-8,9-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.120843408 u |
| Formula |
C13H17NO3 |
| InChI |
InChI=1S/C13H17NO3/c1-16-11-6-9-4-3-5-14-13(15)8-10(9)7-12(11)17-2/h6-7H,3-5,8H2,1-2H3,(H,14,15) |
| InChIKey |
LWTRWSIJQMKJIY-UHFFFAOYSA-N |
| Molecular Weight |
235.283 g/mol |
| SMILES |
C1=2C(=CC(=C(C2)OC)OC)CCCNC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965274 |
