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5MT-NB3F HFB
SpectraBase Compound ID GwYipVFxdfG
InChI InChI=1S/C22H18F8N2O2/c1-34-16-5-6-18-17(10-16)14(11-31-18)7-8-32(12-13-3-2-4-15(23)9-13)19(33)20(24,25)21(26,27)22(28,29)30/h2-6,9-11,31H,7-8,12H2,1H3
InChIKey JNJMCYUNDWYZOI-UHFFFAOYSA-N
Mol Weight 494.39 g/mol
Molecular Formula C22H18F8N2O2
Exact Mass 494.124053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtTp893grDN
Name 5MT-NB3F HFB
Classification Designer drug
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Exact Mass 494.124053130 u
Formula C22H18N2O2F8
InChI InChI=1S/C22H18F8N2O2/c1-34-16-5-6-18-17(10-16)14(11-31-18)7-8-32(12-13-3-2-4-15(23)9-13)19(33)20(24,25)21(26,27)22(28,29)30/h2-6,9-11,31H,7-8,12H2,1H3
InChIKey JNJMCYUNDWYZOI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 494.385 g/mol
SMILES c1(ccc2c(c1)c(c[nH]2)CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)Cc1cc(ccc1)F)OC
SPLASH splash10-03di-0900000000-0cf2038cfa6240fe1788
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_10011