| SpectraBase Spectrum ID |
8AwpWNzizB4 |
| Name |
THJ-2201 N-(5-hydroxypentyl) metabolite |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
9003736 |
| Lot Number |
0678493-2 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
1850409-16-3 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.168127954 u |
| Formula |
C23H22N2O2 |
| InChI |
InChI=1S/C23H22N2O2/c26-16-7-1-6-15-25-21-14-5-4-12-20(21)22(24-25)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14,26H,1,6-7,15-16H2 |
| InChIKey |
YBDCPWAZXZXQGE-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
358.441 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
C(=O)(C=1C=CC=C2C=CC=CC12)C1=NN(C=2C=CC=CC12)CCCCCO |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
[1-(5-hydroxypentyl)-1H-indazol-3-yl]-1-naphthalenyl-methanone
THJ 018 N-(5-hydroxypentyl) metabolite |
| Technique |
ATR-Neat |
