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MN-18 TFA
SpectraBase Compound ID 9qF1ExK8ktW
InChI InChI=1S/C25H22F3N3O2/c1-2-3-8-16-30-20-14-7-6-13-19(20)22(29-30)23(32)31(24(33)25(26,27)28)21-15-9-11-17-10-4-5-12-18(17)21/h4-7,9-15H,2-3,8,16H2,1H3
InChIKey UJBBPFHMDZYFPS-UHFFFAOYSA-N
Mol Weight 453.47 g/mol
Molecular Formula C25H22F3N3O2
Exact Mass 453.166411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xqCTqId5U
Name MN-18 TFA
Classification Cannabinoid
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 453.166411447 u
Formula C25H22N3O2F3
InChI InChI=1S/C25H22F3N3O2/c1-2-3-8-16-30-20-14-7-6-13-19(20)22(29-30)23(32)31(24(33)25(26,27)28)21-15-9-11-17-10-4-5-12-18(17)21/h4-7,9-15H,2-3,8,16H2,1H3
InChIKey UJBBPFHMDZYFPS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 453.465 g/mol
SMILES c1ccc2[n](nc(c2c1)C(=O)N(C(=O)C(F)(F)F)c1cccc2c1cccc2)CCCCC
SPLASH splash10-014i-2790000000-a0b551ca052b9d6f4f1f
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_9632