| SpectraBase Spectrum ID |
56KPN44SfaB |
| Name |
XLR-11 Degradant |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
14055 |
| Lot Number |
0448512-22 |
| Apodization Function |
Triangular |
| CAS Registry Number |
1616469-09-0 |
| Carrier Gas |
Nitrogen (1 mL/min) |
| Cell Type |
Flow cell with gold-coated lightpipe (pyrex glass) and KBr windows |
| Copyright |
Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Detector |
MCT wideband |
| Formula |
C21H28FNO |
| GC Column |
Supelco SPB-1 (1.8 m x 0.32 mm ID x 0.25 µm film thickness) |
| GC Oven Program |
180 °C (0.30 min hold) - 285 °C (10 °C/min) and 5 min hold |
| 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)14-20(24)18-15-23(13-9-5-8-12-22)19-11-7-6-10-17(18)19/h6-7,10-11,15H,1,5,8-9,12-14H2,2-4H3 |
| InChIKey |
BEZVSTOQIZTNCK-UHFFFAOYSA-N |
| Inlet Type |
Splitless |
| Instrument Name |
HP 5890 Series II / HP 5965B (GC/IRD) |
| Instrument Properties |
Gram-Schmidt vector orthogonalization
number of basis vectors: 8
number of basis coadditions: 5
vector offset: 60 points
vector length: 100 points |
| Interferogram Mode Name |
Symmetry |
| Purity |
>=98% |
| Resolution |
8 cm-1 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
5-FUR-144 Degradant; TCMP-2201 thermal isomer |
| Technique |
Vapor Phase |
| UV - Neutral Conditions |
UVmax (nm): 247, 304 |
![1-[1-(5-Fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethylpent-4-en-1-one](/api/spectrum/56KPN44SfaB/structure.png?h=300&w=458 "1-[1-(5-Fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethylpent-4-en-1-one")
