| SpectraBase Spectrum ID |
4psOZXEazMa |
| Name |
MDMB-4en-PINACA |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
26097 |
| Lot Number |
0540771-3 |
| Apodization Function |
Triangular |
| CAS Registry Number |
2504100-70-1 |
| 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 |
C20H27N3O3 |
| 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 |
3-Methyl-N-[[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl]-L-valine, methyl ester |
| InChI |
InChI=1S/C20H27N3O3/c1-6-7-10-13-23-15-12-9-8-11-14(15)16(22-23)18(24)21-17(19(25)26-5)20(2,3)4/h6,8-9,11-12,17H,1,7,10,13H2,2-5H3,(H,21,24)/t17-/m1/s1 |
| InChIKey |
LWOCBHBFWNGPGM-QGZVFWFLSA-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 |
357.454 g/mol |
| Purity |
>=98% |
| Resolution |
8 cm-1 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
MDMB-PENINACA; MDMB-PINACA N1-Pentyl-4-en isomer |
| Technique |
Vapor Phase |
