| SpectraBase Spectrum ID |
GHa1UNqwS6X |
| Name |
3',4'-Dimethoxy-7-phenylheptylamine, pfp |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.167634449 u |
| Formula |
C18H24F5NO3 |
| InChI |
InChI=1S/C18H24F5NO3/c1-26-14-10-9-13(12-15(14)27-2)8-6-4-3-5-7-11-24-16(25)17(19,20)18(21,22)23/h9-10,12H,3-8,11H2,1-2H3,(H,24,25) |
| InChIKey |
SZNJUDWSWPWMOR-UHFFFAOYSA-N |
| Molecular Weight |
397.386 g/mol |
| SMILES |
C1(=CC(=CC=C1OC)CCCCCCCNC(=O)C(F)(F)C(F)(F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915342 |
