| SpectraBase Spectrum ID |
7XEYs0Jdw5i |
| Name |
3-Formyl-7,8-dimethoxy-1-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.124214711 u |
| Formula |
C19H21NO3S |
| InChI |
InChI=1S/C19H21NO3S/c1-22-17-10-14-8-9-20(13-21)12-19(16(14)11-18(17)23-2)24-15-6-4-3-5-7-15/h3-7,10-11,13,19H,8-9,12H2,1-2H3 |
| InChIKey |
FSWWYYBPYLAIFB-UHFFFAOYSA-N |
| Molecular Weight |
343.441 g/mol |
| SMILES |
C1=2C(SC=3C=CC=CC3)CN(C=O)CCC1=CC(=C(C2)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874025 |
