| SpectraBase Spectrum ID |
FFlByAvpKMv |
| Name |
Benzazepin-1-one, 1,2,3,4-tetrahydro-7,8,9-trimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.115758027 u |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-16-9-7-8-5-4-6-14-13(15)10(8)12(18-3)11(9)17-2/h7H,4-6H2,1-3H3,(H,14,15) |
| InChIKey |
CDUWGXAMCSADHI-UHFFFAOYSA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
C1(=C(C=C2C(=C1OC)C(NCCC2)=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895294 |
