SpectraBase Spectrum ID |
ByVuALSuFIN |
Name |
ATHPINACA Isomer 2 |
Source of Sample |
Cayman Chemical Company |
Catalog Number |
19040 |
Lot Number |
0491080-1 |
Acronyms |
Adamanthyl-THPINACA; AD-THPINACA |
Cell Type |
Capillary tube |
Compound Type |
Pure |
Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C24H31N3O2 |
IUPAC Name |
N-(Adamantan-2-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-indazole-3-carboxamide |
InChI |
InChI=1S/C24H31N3O2/c28-24(25-22-18-10-16-9-17(12-18)13-19(22)11-16)23-20-3-1-2-4-21(20)27(26-23)14-15-5-7-29-8-6-15/h1-4,15-19,22H,5-14H2,(H,25,28)/t16-,17+,18-,19+,22? |
InChIKey |
XFZLBNDGZVRJNJ-NMYSLRMKSA-N |
Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
Raman Laser Power |
502 mW |
Raman Laser Source |
Nd:YAG |
SMILES |
N(C(c1c2ccccc2[n](n1)CC1CCOCC1)=O)C1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H] |
Scans Performed |
3264 |
Source of Spectrum |
Forensic Spectral Research |
Technique |
FT-Raman |