| SpectraBase Compound ID | Cq1RL1U8ghq |
|---|---|
| InChI | InChI=1S/C21H21F3N2O3/c22-21(23,24)29-16-10-8-15(9-11-16)20(28)25-13-12-19(27)26-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,25,28)(H,26,27)/t18-/m1/s1 |
| InChIKey | SGNRHEDBLPGDDC-GOSISDBHSA-N |
| Mol Weight | 406.41 g/mol |
| Molecular Formula | C21H21F3N2O3 |
| Exact Mass | 406.150427 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | KR7KHXHNySx |
|---|---|
| Name | ML-390 |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 21395 |
| Lot Number | 0508170-1 |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H21F3N2O3 |
| IUPAC Name | N-[3-Oxo-3-[[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]propyl]-4-(trifluoromethoxy)benzamide |
| InChI | InChI=1S/C21H21F3N2O3/c22-21(23,24)29-16-10-8-15(9-11-16)20(28)25-13-12-19(27)26-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,25,28)(H,26,27)/t18-/m1/s1 |
| InChIKey | SGNRHEDBLPGDDC-GOSISDBHSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 406.405 g/mol |
| SMILES | FC(F)(F)Oc1ccc(C(NCCC(N[C@]2(c3ccccc3CCC2)[H])=O)=O)cc1 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr0 |