| SpectraBase Spectrum ID |
Bnp1aNo1vqC |
| Name |
5-Fluoro EMB-PICA |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
30769 |
| CAS Registry Number |
2648861-83-8 |
| Cell Type |
Neat on gold post |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29FN2O3 |
| IUPAC Name |
N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]-L-valine, ethyl ester |
| InChI |
InChI=1S/C21H29FN2O3/c1-4-27-21(26)19(15(2)3)23-20(25)17-14-24(13-9-5-8-12-22)18-11-7-6-10-16(17)18/h6-7,10-11,14-15,19H,4-5,8-9,12-13H2,1-3H3,(H,23,25)/t19-/m0/s1 |
| InChIKey |
WPRKGJGOLPGBMG-IBGZPJMESA-N |
| Molecular Weight |
376.472 g/mol |
| Purity |
>=98% |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(C(c1c[n](c2c1cccc2)CCCCCF)=O)[C@@](C(C)C)(C(OCC)=O)[H] |
| Scans Performed |
2048 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
EMB-2201 |
| Technique |
FT-Raman |
| UV - Neutral Conditions |
UVmax (nm): 218, 291 |
