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Pentylone TFA
SpectraBase Compound ID Kf5R9o7tfsi
InChI InChI=1S/C15H16F3NO4/c1-3-4-10(19(2)14(21)15(16,17)18)13(20)9-5-6-11-12(7-9)23-8-22-11/h5-7,10H,3-4,8H2,1-2H3
InChIKey BMSZQJSHDINTLL-UHFFFAOYSA-N
Mol Weight 331.29 g/mol
Molecular Formula C15H16F3NO4
Exact Mass 331.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fdF2oNufCy
Name Pentylone TFA
Classification Designer drug
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Exact Mass 331.103142484 u
Formula C15H16NO4F3
InChI InChI=1S/C15H16F3NO4/c1-3-4-10(19(2)14(21)15(16,17)18)13(20)9-5-6-11-12(7-9)23-8-22-11/h5-7,10H,3-4,8H2,1-2H3
InChIKey BMSZQJSHDINTLL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 331.291 g/mol
SMILES c12OCOc2ccc(c1)C(=O)C(CCC)N(C(C(F)(F)F)=O)C
SPLASH splash10-0002-5900000000-65204b4c739c43479712
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_10457