| SpectraBase Spectrum ID |
Jfv94u6HHBu |
| Name |
jwh-018 4-Hydroxypentyl metabolite, trifluoroacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.155178058 u |
| Formula |
C26H22F3NO3 |
| InChI |
InChI=1S/C26H22F3NO3/c1-17(33-25(32)26(27,28)29)8-7-15-30-16-22(20-12-4-5-14-23(20)30)24(31)21-13-6-10-18-9-2-3-11-19(18)21/h2-6,9-14,16-17H,7-8,15H2,1H3 |
| InChIKey |
VINXZFKYHNXBLE-UHFFFAOYSA-N |
| Molecular Weight |
453.461 g/mol |
| SMILES |
C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCC(C)OC(C(F)(F)F)=O)C1=C2C(=CC=C1)C=CC=C2 |
