| SpectraBase Spectrum ID |
7duviVopIko |
| Name |
ADB-FUBIATA 3,3-dimethylbutanoic acid metabolite |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
35222 |
| Lot Number |
0634657-8 |
| Cell Type |
Neat on gold post |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H25FN2O3 |
| InChI |
InChI=1S/C23H25FN2O3/c1-23(2,3)21(22(28)29)25-20(27)12-16-14-26(19-7-5-4-6-18(16)19)13-15-8-10-17(24)11-9-15/h4-11,14,21H,12-13H2,1-3H3,(H,25,27)(H,28,29)/t21-/m1/s1 |
| InChIKey |
ZYSDLHPRCYGNFQ-OAQYLSRUSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(C(Cc1c[n](Cc2ccc(F)cc2)c2c1cccc2)=O)[C@](C(O)=O)(C(C)(C)C)[H] |
| Scans Performed |
1728 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
