| SpectraBase Compound ID | JGqjHc0B1of |
|---|---|
| InChI | InChI=1S/C23H25FN2O3/c24-13-7-2-8-14-26-16-19(18-11-5-6-12-21(18)26)22(27)25-20(23(28)29)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,20H,2,7-8,13-15H2,(H,25,27)(H,28,29)/t20-/m0/s1 |
| InChIKey | MPKQJJLLNZYXQT-FQEVSTJZSA-N |
| Mol Weight | 396.46 g/mol |
| Molecular Formula | C23H25FN2O3 |
| Exact Mass | 396.184921 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | DjhfDo7q6km |
|---|---|
| Name | 5-Fluoro MPP-PICA phenylproprionic acid metabolite |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 31271 |
| Lot Number | 0594744-3 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H25FN2O3 |
| InChI | InChI=1S/C23H25FN2O3/c24-13-7-2-8-14-26-16-19(18-11-5-6-12-21(18)26)22(27)25-20(23(28)29)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,20H,2,7-8,13-15H2,(H,25,27)(H,28,29)/t20-/m0/s1 |
| InChIKey | MPKQJJLLNZYXQT-FQEVSTJZSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | N(C(c1c[n](c2c1cccc2)CCCCCF)=O)[C@](C(O)=O)(Cc1ccccc1)[H] |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat |