| SpectraBase Compound ID | AVI2C0dDn2K |
|---|---|
| InChI | InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1 |
| InChIKey | CHSUEEBESACQDV-GOSISDBHSA-N |
| Mol Weight | 376.47 g/mol |
| Molecular Formula | C21H29FN2O3 |
| Exact Mass | 376.216221 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 5YRZewOe0Xk |
|---|---|
| Name | 5-Fluoro MDMB-PICA |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 20803 |
| Lot Number | 0494659-28 |
| Apodization Function | Norton-Beer, medium |
| CAS Registry Number | 1971007-88-1 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29FN2O3 |
| IUPAC Name | N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-L-valine, methyl ester |
| InChI | InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1 |
| InChIKey | CHSUEEBESACQDV-GOSISDBHSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 376.472 g/mol |
| SMILES | N([C@@](C(C)(C)C)(C(OC)=O)[H])C(c1c2ccccc2[n](c1)CCCCCF)=O |
| Source of Spectrum | Forensic Spectral Research |
| Technique | KBr0 |