| SpectraBase Spectrum ID |
C3o1MLTPavn |
| Name |
jwh-019 6-Hydroxyhexyl metabolite, trifluoroacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.170828123 u |
| Formula |
C27H24F3NO3 |
| InChI |
InChI=1S/C27H24F3NO3/c28-27(29,30)26(33)34-17-8-2-1-7-16-31-18-23(21-13-5-6-15-24(21)31)25(32)22-14-9-11-19-10-3-4-12-20(19)22/h3-6,9-15,18H,1-2,7-8,16-17H2 |
| InChIKey |
MBGVWNYNLJSJRN-UHFFFAOYSA-N |
| Molecular Weight |
467.488 g/mol |
| SMILES |
C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCCCCOC(C(F)(F)F)=O)C1=C2C(=CC=C1)C=CC=C2 |
