| SpectraBase Spectrum ID |
GutGP8y9jyb |
| Name |
3,4-Dimethoxyphenethylamine tfa (-o,+2H) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.113313246 u |
| Formula |
C12H16F3NO2 |
| InChI |
InChI=1S/C12H16F3NO2/c1-17-10-4-3-9(7-11(10)18-2)5-6-16-8-12(13,14)15/h3-4,7,16H,5-6,8H2,1-2H3 |
| InChIKey |
UHWRNUXDCOQKRP-UHFFFAOYSA-N |
| Molecular Weight |
263.260 g/mol |
| SMILES |
C1(=C(C=CC(=C1)CCNCC(F)(F)F)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976294 |
