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5MT-NB3B 2TFA
SpectraBase Compound ID F5zQMD6d0Vk
InChI InChI=1S/C22H17BrF6N2O3/c1-34-16-5-6-18-17(10-16)14(12-31(18)20(33)22(27,28)29)7-8-30(19(32)21(24,25)26)11-13-3-2-4-15(23)9-13/h2-6,9-10,12H,7-8,11H2,1H3
InChIKey ZBWFFKWGOUEATJ-UHFFFAOYSA-N
Mol Weight 551.28 g/mol
Molecular Formula C22H17BrF6N2O3
Exact Mass 550.032674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bYwojBWW8
Name 5MT-NB3B 2TFA
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 550.032674390 u
Formula C22H17N2O3BrF6
InChI InChI=1S/C22H17BrF6N2O3/c1-34-16-5-6-18-17(10-16)14(12-31(18)20(33)22(27,28)29)7-8-30(19(32)21(24,25)26)11-13-3-2-4-15(23)9-13/h2-6,9-10,12H,7-8,11H2,1H3
InChIKey ZBWFFKWGOUEATJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 551.283 g/mol
SMILES c1(cc2c(CCN(C(=O)C(F)(F)F)Cc3cccc(c3)Br)c[n](c2cc1)C(=O)C(F)(F)F)OC
SPLASH splash10-066r-0390010000-926f13f98bc1d156cd6d
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_9903