| SpectraBase Spectrum ID |
8Fb6F5ZougP |
| Name |
N-(5-Acetyl-10,11-dihydro-5H-dibenzo[B,F]azepin-3-yl)-2-(methylsulfanyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.140199128 u |
| Formula |
C24H22N2O2S |
| InChI |
InChI=1S/C24H22N2O2S/c1-16(27)26-21-9-5-3-7-17(21)11-12-18-13-14-19(15-22(18)26)25-24(28)20-8-4-6-10-23(20)29-2/h3-10,13-15H,11-12H2,1-2H3,(H,25,28) |
| InChIKey |
FBDROSGSGZXEHN-UHFFFAOYSA-N |
| Molecular Weight |
402.512 g/mol |
| SMILES |
C1=CC=C(C(NC2=CC=3N(C4=C(CCC3C=C2)C=CC=C4)C(=O)C)=O)C(SC)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844302 |
![N-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-(methylsulfanyl)benzamide](/api/spectrum/8Fb6F5ZougP/structure.png?h=300&w=458 "N-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-(methylsulfanyl)benzamide")
