SpectraBase Spectrum ID |
4b5a5h9peF8 |
Name |
XLR11 degradant |
Source of Sample |
Cayman Chemical Company |
Catalog Number |
14055 |
Lot Number |
0448512-22 |
Accessory |
DurasamplIR II |
Apodization Function |
Triangular |
CAS Registry Number |
1616469-09-0 |
Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H28FNO |
IUPAC Name |
1-[1-(5-Fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethyl-4-penten-1-one |
InChI |
InChI=1S/C21H28FNO/c1-16(2)21(3,4)15-20(24)19-14-17-10-6-7-11-18(17)23(19)13-9-5-8-12-22/h6-7,10-11,14H,1,5,8-9,12-13,15H2,2-4H3 |
InChIKey |
YJPUBSMVIMOPGL-UHFFFAOYSA-N |
Instrument Name |
Bio-Rad FTS
|
SMILES |
c1cc2c(cc1)[n](c(c2)C(CC(C(C)=C)(C)C)=O)CCCCCF |
Scan Speed (number) |
5 |
Solvent |
Dichloromethane |
Source of Spectrum |
Forensic Spectral Research |
Synonyms |
5-FUR-144 degradant; TCMP-2201 thermal isomer |
Technique |
ATR-Film |