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PB-22
SpectraBase Compound ID JALu5gmJeuf
InChI InChI=1S/C23H22N2O2/c1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKey ZAVGICCEAOUWFM-UHFFFAOYSA-N
Mol Weight 358.44 g/mol
Molecular Formula C23H22N2O2
Exact Mass 358.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86XTlVJP4IQ
Name PB-22
CAS Registry Number 1400742-17-7
Classification Cannabinoid
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 358.168127954 u
Formula C23H22N2O2
InChI InChI=1S/C23H22N2O2/c1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKey ZAVGICCEAOUWFM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 358.441 g/mol
SMILES c1cc2c(cc1)[n](CCCCC)cc2C(Oc1c2c(ccc1)cccn2)=O
SPLASH splash10-03di-3590000000-31a473f03976b13bc37d
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_9642