| SpectraBase Spectrum ID |
9YlhynwZeO2 |
| Name |
1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)-, diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.178358285 u |
| Formula |
C23H25NO4 |
| InChI |
InChI=1S/C23H25NO4/c1-4-11-24-12-10-19-13-22(27-16(2)25)23(28-17(3)26)14-20(19)21(15-24)18-8-6-5-7-9-18/h4-9,13-14,21H,1,10-12,15H2,2-3H3 |
| InChIKey |
NMIWVUNUPYZXBQ-UHFFFAOYSA-N |
| Molecular Weight |
379.456 g/mol |
| SMILES |
C1N(CCC2=C(C1C1=CC=CC=C1)C=C(C(=C2)OC(=O)C)OC(=O)C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896456 |
