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5MT-NB4OMe 2PFP
SpectraBase Compound ID DsIBJWpAVry
InChI InChI=1S/C25H20F10N2O4/c1-40-16-5-3-14(4-6-16)12-36(20(38)22(26,27)24(30,31)32)10-9-15-13-37(21(39)23(28,29)25(33,34)35)19-8-7-17(41-2)11-18(15)19/h3-8,11,13H,9-10,12H2,1-2H3
InChIKey PQTKQUMLVCCCFB-UHFFFAOYSA-N
Mol Weight 602.43 g/mol
Molecular Formula C25H20F10N2O4
Exact Mass 602.126339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsDktYJjvwO
Name 5MT-NB4OMe 2PFP
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 602.126338758 u
Formula C24H16N2O5F10
InChI InChI=1S/C25H20F10N2O4/c1-40-16-5-3-14(4-6-16)12-36(20(38)22(26,27)24(30,31)32)10-9-15-13-37(21(39)23(28,29)25(33,34)35)19-8-7-17(41-2)11-18(15)19/h3-8,11,13H,9-10,12H2,1-2H3
InChIKey PQTKQUMLVCCCFB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 602.429 g/mol
SMILES c1(cc2c(cc1)[n](C(=O)C(F)(F)C(F)(F)F)cc2CCN(C(=O)C(F)(F)C(F)(F)F)Cc1ccc(cc1)OC)OC
SPLASH splash10-00di-1903000000-ed64b10394d7d953c15c
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_9953