| SpectraBase Spectrum ID |
BnzioQqcyGZ |
| Name |
4'-Fluoro-para-fluoro-trans-3-methyl fentanyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.216969855 u |
| Formula |
C23H28F2N2O |
| InChI |
InChI=1S/C23H28F2N2O/c1-3-23(28)27(21-10-8-20(25)9-11-21)22-13-15-26(16-17(22)2)14-12-18-4-6-19(24)7-5-18/h4-11,17,22H,3,12-16H2,1-2H3/t17-,22-/m0/s1 |
| InChIKey |
YFIQNDQPFUSEGY-JTSKRJEESA-N |
| Molecular Weight |
386.487 g/mol |
| SMILES |
C1N(CC[C@@]([C@]1(C)[H])(N(C(CC)=O)C=1C=CC(=CC1)F)[H])CCC=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806942 |
