SpectraBase Spectrum ID |
G1tQVrzAB80 |
Name |
JWH-018 2-hydroxypentyl-A (-H2O) I |
Classification |
Designer drug metabolite artifact |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
339.162314299 u |
Formula |
C24H21NO |
InChI |
InChI=1S/C24H21NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-17H,2-3H2,1H3/b16-8- |
InChIKey |
YTNIGAMLJVEPMM-PXNMLYILSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
339.438 g/mol |
Nominal Mass |
339 u |
Quality |
994 |
Retention Index |
3082 |
SMILES |
C=1(C=2C(N(C1)\C=C/CCC)=CC=CC2)C(C=1C2=C(C=CC1)C=CC=C2)=O |
SPLASH |
splash10-0a6r-0922000000-f2e63dd6fd96e11ee0bb |
Sample Comments |
Double bond position uncertain, cis/trans isomerism unknown |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
naphthalen-1-yl(1-((1Z)-pent-1-en-1-yl)-1H-indol-3-yl)methanone |
Technique |
GC/MS |
Wiley ID |
DD2024_015483 |