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4-Cyano-CUMYL-BUTINACA
SpectraBase Compound ID 8bYwjD8De2H
InChI InChI=1S/C22H24N4O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,16H2,1-2H3,(H,24,27)
InChIKey JGTSOWOPISVAHG-UHFFFAOYSA-N
Mol Weight 360.46 g/mol
Molecular Formula C22H24N4O
Exact Mass 360.195011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NmX7VFDf6
Name 4-Cyano-CUMYL-BUTINACA
CAS Registry Number 1631074-54-8
Classification Cannabinoid
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 360.195011408 u
Formula C22H24N4O
InChI InChI=1S/C22H24N4O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,16H2,1-2H3,(H,24,27)
InChIKey JGTSOWOPISVAHG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 360.461 g/mol
SMILES c1cc2c(c(n[n]2CCCCC#N)C(=O)NC(C)(c2ccccc2)C)cc1
SPLASH splash10-004j-5962000000-db3284b73942d5d8d9f1
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_10484