| SpectraBase Spectrum ID |
9aJsTHqu4uq |
| Name |
6,7,8-Trimethoxy-3,4-dimethyl-1-methylsulfanyl-3,4-dihydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.124214711 u |
| Formula |
C15H21NO3S |
| InChI |
InChI=1S/C15H21NO3S/c1-8-9(2)16-15(20-6)12-10(8)7-11(17-3)13(18-4)14(12)19-5/h7-9H,1-6H3 |
| InChIKey |
QVCXOHHMIQJBPR-UHFFFAOYSA-N |
| Molecular Weight |
295.397 g/mol |
| SMILES |
C1(=C(C(=C2C(=C1)C(C(N=C2SC)C)C)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832027 |
