| SpectraBase Compound ID | 1MU1AfQccZ6 |
|---|---|
| InChI | InChI=1S/C22H31FN2O3/c1-5-28-21(27)19(22(2,3)4)24-20(26)17-15-25(14-10-6-9-13-23)18-12-8-7-11-16(17)18/h7-8,11-12,15,19H,5-6,9-10,13-14H2,1-4H3,(H,24,26)/t19-/m1/s1 |
| InChIKey | RNWBJOCYFGGMRJ-LJQANCHMSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C22H31FN2O3 |
| Exact Mass | 390.231871 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 5Wz2k7gEb6W |
|---|---|
| Name | 5-Fluoro EDMB-PICA |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 30725 |
| Lot Number | 0588529-32 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31FN2O3 |
| IUPAC Name | Ethyl (S)-2-(1-(5-fluoropentyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate |
| InChI | InChI=1S/C22H31FN2O3/c1-5-28-21(27)19(22(2,3)4)24-20(26)17-15-25(14-10-6-9-13-23)18-12-8-7-11-16(17)18/h7-8,11-12,15,19H,5-6,9-10,13-14H2,1-4H3,(H,24,26)/t19-/m1/s1 |
| InChIKey | RNWBJOCYFGGMRJ-LJQANCHMSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 390.499 g/mol |
| Purity | >=98% |
| SMILES | N(C(c1c[n](c2c1cccc2)CCCCCF)=O)[C@@](C(C)(C)C)(C(OCC)=O)[H] |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 5-Fluoro EDMB-2201 |
| Technique | ATR-Neat |
| UV - Neutral Conditions | UVmax (nm): 218, 291 |