SpectraBase Spectrum ID |
97VOdS3ghMc |
Name |
EDMB-PINACA |
Source of Sample |
Cayman Chemical Company |
Catalog Number |
33663 |
Lot Number |
0612469-14 |
Accessory |
DurasamplIR II |
Apodization Function |
Norton-Beer, medium |
Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H31N3O3 |
IUPAC Name |
Ethyl (S)-3,3-dimethyl-2-(1-pentyl-1H-indazole-3-carboxamido)butanoate |
InChI |
InChI=1S/C21H31N3O3/c1-6-8-11-14-24-16-13-10-9-12-15(16)17(23-24)19(25)22-18(21(3,4)5)20(26)27-7-2/h9-10,12-13,18H,6-8,11,14H2,1-5H3,(H,22,25)/t18-/m1/s1 |
InChIKey |
HKKKXLZFEZHHFC-GOSISDBHSA-N |
Instrument Name |
Bio-Rad FTS |
Molecular Weight |
373.497 g/mol |
Purity |
>=98% |
SMILES |
N(C(c1n[n](c2c1cccc2)CCCCC)=O)[C@@](C(C)(C)C)(C(OCC)=O)[H] |
Scan Speed (number) |
5 |
Solvent |
Dichloromethane |
Source of Spectrum |
Forensic Spectral Research |
Technique |
ATR-Film |