| SpectraBase Spectrum ID |
2GdXgTSHGAD |
| Name |
MDMB-INACA 3,3-dimethyl butanoic acid metabolite |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
38151 |
| Lot Number |
0671289-5 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
1189552-82-6 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.126991416 u |
| Formula |
C14H17N3O3 |
| InChI |
InChI=1S/C14H17N3O3/c1-14(2,3)11(13(19)20)15-12(18)10-8-6-4-5-7-9(8)16-17-10/h4-7,11H,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t11-/m1/s1 |
| InChIKey |
CPHMGHDQBWTCMZ-LLVKDONJSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
275.308 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
C([C@@](NC(=O)C1=NNC=2C=CC=CC12)(C(C)(C)C)[H])(=O)O |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
N-(1H-indazol-3-ylcarbonyl)-3-methyl-L-valine
ADB-INACA 3,3-dimethylbutanoic acid metabolite |
| Technique |
ATR-Neat |
