| SpectraBase Spectrum ID |
J7PEea3NNSP |
| Name |
1,2,4,5-Tetrahydro-7,8-dimethoxy-2-methyl-3H-2-benzazepin-3-one |
| 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/c1-14-8-10-7-12(17-3)11(16-2)6-9(10)4-5-13(14)15/h6-7H,4-5,8H2,1-3H3 |
| InChIKey |
SXNPHOCMQSOAJG-UHFFFAOYSA-N |
| Molecular Weight |
235.283 g/mol |
| SMILES |
C1(N(CC=2C(CC1)=CC(=C(C2)OC)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946088 |
