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TMA-2 HFB
SpectraBase Compound ID 1v23HhsQ49I
InChI InChI=1S/C16H18F7NO4/c1-8(24-13(25)14(17,18)15(19,20)16(21,22)23)5-9-6-11(27-3)12(28-4)7-10(9)26-2/h6-8H,5H2,1-4H3,(H,24,25)
InChIKey OKEWZUNYMWEQHL-UHFFFAOYSA-N
Mol Weight 421.31 g/mol
Molecular Formula C16H18F7NO4
Exact Mass 421.112405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4I8sTDvWdc
Name TMA-2 HFB
Classification Designer drug
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Exact Mass 421.112405201 u
Formula C16H18NO4F7
InChI InChI=1S/C16H18F7NO4/c1-8(24-13(25)14(17,18)15(19,20)16(21,22)23)5-9-6-11(27-3)12(28-4)7-10(9)26-2/h6-8H,5H2,1-4H3,(H,24,25)
InChIKey OKEWZUNYMWEQHL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 421.312 g/mol
SMILES c1(c(OC)cc(c(c1)CC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC)OC
SPLASH splash10-001i-1910000000-abc652f13f76cd9bb765
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_7347