| SpectraBase Compound ID | K8NrVnorHCm |
|---|---|
| InChI | InChI=1S/C24H28F3NO2/c1-5-16-23(4,17(2)19-12-8-6-9-13-19)30-21(20-14-10-7-11-15-20)18(3)28-22(29)24(25,26)27/h5-15,17-18,21H,1,16H2,2-4H3,(H,28,29)/t17?,18-,21+,23-/m1/s1 |
| InChIKey | CZUDBCKXAXVPFK-GRHQMUKMSA-N |
| Mol Weight | 419.49 g/mol |
| Molecular Formula | C24H28F3NO2 |
| Exact Mass | 419.207214 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4jtw5DquLil |
|---|---|
| Name | (4S,1'R,2'R)-4-Methyl-5-phenyl-4-(2'-trifluoroacetamido-1'-phenylpropoxy)hex-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 419.207213633 u |
| Formula | C24H28F3NO2 |
| InChI | InChI=1S/C24H28F3NO2/c1-5-16-23(4,17(2)19-12-8-6-9-13-19)30-21(20-14-10-7-11-15-20)18(3)28-22(29)24(25,26)27/h5-15,17-18,21H,1,16H2,2-4H3,(H,28,29)/t17?,18-,21+,23-/m1/s1 |
| InChIKey | CZUDBCKXAXVPFK-GRHQMUKMSA-N |
| Molecular Weight | 419.488 g/mol |
| SMILES | C(C(N[C@@]([C@](O[C@@](C(C=1C=CC=CC1)C)(CC=C)C)(C1=CC=CC=C1)[H])(C)[H])=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833365 |