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JWH-398 N-(4-hydroxypentyl) metabolite

View entire compound with spectra: 1 NMR, and 1 MS (GC)

JWH-398 N-(4-hydroxypentyl) metabolite
SpectraBase Compound ID 14Yx60In36M
InChI InChI=1S/C24H22ClNO2/c1-16(27)7-6-14-26-15-21(19-10-4-5-11-23(19)26)24(28)20-12-13-22(25)18-9-3-2-8-17(18)20/h2-5,8-13,15-16,27H,6-7,14H2,1H3
InChIKey KDHNVFXZDOAZAI-UHFFFAOYSA-N
Mol Weight 391.9 g/mol
Molecular Formula C24H22ClNO2
Exact Mass 391.133907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Qc73bQtfqa
Name jwh 398 N-(4-Hydroxypentyl) metabolite
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.133906650 u
Formula C24H22ClNO2
InChI InChI=1S/C24H22ClNO2/c1-16(27)7-6-14-26-15-21(19-10-4-5-11-23(19)26)24(28)20-12-13-22(25)18-9-3-2-8-17(18)20/h2-5,8-13,15-16,27H,6-7,14H2,1H3
InChIKey KDHNVFXZDOAZAI-UHFFFAOYSA-N
Molecular Weight 391.898 g/mol
SMILES C12=CC=CC=C2N(C=C1C(C1=CC=C(C2=C1C=CC=C2)Cl)=O)CCCC(C)O