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JWH 081
SpectraBase Compound ID 2pw2s3cg69G
InChI InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKey UBMPKJKGUQDHRM-UHFFFAOYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C25H25NO2
Exact Mass 371.188529 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7qHVusYIKsA
Name JWH-081 MS2
CAS Registry Number 210179-46-7
Comments F: ITMS + c ESI d w Full ms2 372.10
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Formula C25H25NO2
InChI InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKey UBMPKJKGUQDHRM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C12=C(C=CC(=C2C=CC=C1)OC)C(C=1C=2C=CC=CC2N(C1)CCCCC)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS