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3,5-CHMFUPPYCA
SpectraBase Compound ID 7bJn6JTtJjs
InChI InChI=1S/C22H29FN4O2/c1-14(2)19(21(24)28)26-22(29)20-18(16-8-10-17(23)11-9-16)12-25-27(20)13-15-6-4-3-5-7-15/h8-12,14-15,19H,3-7,13H2,1-2H3,(H2,24,28)(H,26,29)
InChIKey SYBYNQUNEJBFLG-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C22H29FN4O2
Exact Mass 400.227454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AssjzL99W1J
Name 3,5-CHMFUPPYCA
Classification Cannabinoid
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 400.227454351 u
Formula C22H29N4O2F
InChI InChI=1S/C22H29FN4O2/c1-14(2)19(21(24)28)26-22(29)20-18(16-8-10-17(23)11-9-16)12-25-27(20)13-15-6-4-3-5-7-15/h8-12,14-15,19H,3-7,13H2,1-2H3,(H2,24,28)(H,26,29)
InChIKey SYBYNQUNEJBFLG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 400.498 g/mol
SMILES CC(C(NC(=O)c1[n](CC2CCCCC2)ncc1-c1ccc(F)cc1)C(N)=O)C
SPLASH splash10-0a4i-9880000000-0e1e027e3d7bf344b4fe
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_10482