| SpectraBase Spectrum ID |
J9KUk5MLDPd |
| Name |
2,5-Dimethoxy-4-ethylthiophenethylamine 2ac |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.134779395 u |
| Formula |
C16H23NO4S |
| InChI |
InChI=1S/C16H23NO4S/c1-6-22-16-10-14(20-4)13(9-15(16)21-5)7-8-17(11(2)18)12(3)19/h9-10H,6-8H2,1-5H3 |
| InChIKey |
UKQZMXXJBHSANU-UHFFFAOYSA-N |
| Molecular Weight |
325.423 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)CCN(C(=O)C)C(=O)C)OC)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922878 |
