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5MT-NB3Me 2TFA
SpectraBase Compound ID 6hirtnixGsX
InChI InChI=1S/C23H20F6N2O3/c1-14-4-3-5-15(10-14)12-30(20(32)22(24,25)26)9-8-16-13-31(21(33)23(27,28)29)19-7-6-17(34-2)11-18(16)19/h3-7,10-11,13H,8-9,12H2,1-2H3
InChIKey UNADJLCVCYLUTQ-UHFFFAOYSA-N
Mol Weight 486.41 g/mol
Molecular Formula C23H20F6N2O3
Exact Mass 486.137811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13Yv8hMUHg
Name 5MT-NB3Me 2TFA
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 486.137811487 u
Formula C23H20N2O3F6
InChI InChI=1S/C23H20F6N2O3/c1-14-4-3-5-15(10-14)12-30(20(32)22(24,25)26)9-8-16-13-31(21(33)23(27,28)29)19-7-6-17(34-2)11-18(16)19/h3-7,10-11,13H,8-9,12H2,1-2H3
InChIKey UNADJLCVCYLUTQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 486.414 g/mol
SMILES c1(cc2c(CCN(C(=O)C(F)(F)F)Cc3cccc(c3)C)c[n](c2cc1)C(=O)C(F)(F)F)OC
SPLASH splash10-0aor-1690000000-4a1fc89b4c7085ddb920
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_9961