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Benzylpiperazine-M (HO-) iso-1 2HFB
SpectraBase Compound ID 5Rz4uuRS1Up
InChI InChI=1S/C19H14F14N2O3/c20-14(21,16(24,25)18(28,29)30)12(36)35-7-5-34(6-8-35)9-10-1-3-11(4-2-10)38-13(37)15(22,23)17(26,27)19(31,32)33/h1-4H,5-9H2
InChIKey PMBLJAVFNAMNBP-UHFFFAOYSA-N
Mol Weight 584.31 g/mol
Molecular Formula C19H14F14N2O3
Exact Mass 584.078087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaYNQoZCgI8
Name Benzylpiperazine-M (HO-) iso-2 2HFB
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 584.078086598 u
Formula C19H14F14N2O3
InChI InChI=1S/C19H14F14N2O3/c20-14(21,16(24,25)18(28,29)30)12(36)35-7-5-34(6-8-35)9-10-1-3-11(4-2-10)38-13(37)15(22,23)17(26,27)19(31,32)33/h1-4H,5-9H2
InChIKey PMBLJAVFNAMNBP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 584.310 g/mol
SMILES c1cc(CN2CCN(CC2)C(=O)C(C(F)(F)C(F)(F)F)(F)F)ccc1OC(C(F)(F)C(F)(F)C(F)(F)F)=O
SPLASH splash10-0udi-3139000000-d2f8d1a16803805c1982
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.
Sample Preparation Procedure Detected: U+UHYHFB
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Benzylpiperazine-M (HO-) isomer-2 2HFB
Technique GC/MS
Wiley ID MMPW6e_6573