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JWH-081 N-(4-hydroxypentyl) metabolite
SpectraBase Compound ID ATGoxC33SYu
InChI InChI=1S/C25H25NO3/c1-17(27)8-7-15-26-16-22(19-10-5-6-12-23(19)26)25(28)21-13-14-24(29-2)20-11-4-3-9-18(20)21/h3-6,9-14,16-17,27H,7-8,15H2,1-2H3
InChIKey BMDREMSYCUDCJJ-UHFFFAOYSA-N
Mol Weight 387.48 g/mol
Molecular Formula C25H25NO3
Exact Mass 387.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJZ1CHeowT0
Name jwh 081 N-(4-Hydroxypentyl) metabolite
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.183443666 u
Formula C25H25NO3
InChI InChI=1S/C25H25NO3/c1-17(27)8-7-15-26-16-22(19-10-5-6-12-23(19)26)25(28)21-13-14-24(29-2)20-11-4-3-9-18(20)21/h3-6,9-14,16-17,27H,7-8,15H2,1-2H3
InChIKey BMDREMSYCUDCJJ-UHFFFAOYSA-N
Molecular Weight 387.479 g/mol
SMILES C(=O)(C=1C2=C(C=CC=C2)N(C1)CCCC(C)O)C1=C2C(=C(C=C1)OC)C=CC=C2