| SpectraBase Spectrum ID |
DGT1liNLXNw |
| Name |
4-Fluoro MDMB-BUTINACA 2'-indazole isomer |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
27442 |
| Lot Number |
0555580-2 |
| Apodization Function |
Triangular |
| 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 |
C19H26FN3O3 |
| 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 |
Methyl (S)-2-(2-(4-fluorobutyl)-2H-indazole-3-carboxamido)-3,3-dimethylbutanoate |
| InChI |
InChI=1S/C19H26FN3O3/c1-19(2,3)16(18(25)26-4)21-17(24)15-13-9-5-6-10-14(13)22-23(15)12-8-7-11-20/h5-6,9-10,16H,7-8,11-12H2,1-4H3,(H,21,24)/t16-/m1/s1 |
| InChIKey |
CIISVUIPBNGYFX-MRXNPFEDSA-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 |
| Molecular Weight |
363.433 g/mol |
| Purity |
>=98% |
| Resolution |
8 cm-1 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
4-Fluoro MDMB-BINACA 2'-indazole isomer |
| Technique |
Vapor Phase |
| UV - Neutral Conditions |
UVmax (nm): 210, 306 |
