| SpectraBase Spectrum ID |
H78njNwMqNs |
| Name |
AM6545 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
16316 |
| CAS Registry Number |
1245626-05-4 |
| Cell Type |
Neat on gold post |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H23Cl2N5O3S |
| IUPAC Name |
5-[4-(4-Cyano-1-butyn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxido-4-thiomorpholinyl)-4-methyl-1H-pyrazole-3-carboxamide |
| InChI |
InChI=1S/C26H23Cl2N5O3S/c1-18-24(26(34)31-32-13-15-37(35,36)16-14-32)30-33(23-11-10-21(27)17-22(23)28)25(18)20-8-6-19(7-9-20)5-3-2-4-12-29/h6-11,17H,2,4,13-16H2,1H3,(H,31,34) |
| InChIKey |
XBHQLFVDGLPBCK-UHFFFAOYSA-N |
| Molecular Weight |
556.468 g/mol |
| Purity |
>=98% |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(C(c1n[n](-c2c(cc(cc2)Cl)Cl)c(c1C)-c1ccc(cc1)C#CCCC#N)=O)N1CCS(CC1)(=O)=O |
| Scans Performed |
2176 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
| UV - Neutral Conditions |
UVmax (nm): 268 |
