| SpectraBase Spectrum ID |
1MbV1Ufo0FX |
| Name |
N,N-bis(3-Trifluoromethylbenzyl)-4-hydroxy-3,5-dimethoxyphenethanamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
513.173862644 u |
| Formula |
C26H25F6NO3 |
| InChI |
InChI=1S/C26H25F6NO3/c1-35-22-13-17(14-23(36-2)24(22)34)9-10-33(15-18-5-3-7-20(11-18)25(27,28)29)16-19-6-4-8-21(12-19)26(30,31)32/h3-8,11-14,34H,9-10,15-16H2,1-2H3 |
| InChIKey |
WRYYPHNGOXQNQQ-UHFFFAOYSA-N |
| Molecular Weight |
513.480 g/mol |
| SMILES |
C1(C(F)(F)F)=CC(CN(CC=2C=C(C(F)(F)F)C=CC2)CCC2=CC(=C(C(=C2)OC)O)OC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880186 |
