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1-(3,4-Methylenedioxybenzyl)piperazine HFB
SpectraBase Compound ID II2h4XxWtcL
InChI InChI=1S/C16H15F7N2O3/c17-14(18,15(19,20)16(21,22)23)13(26)25-5-3-24(4-6-25)8-10-1-2-11-12(7-10)28-9-27-11/h1-2,7H,3-6,8-9H2
InChIKey CEOUNYCXGKQTNL-UHFFFAOYSA-N
Mol Weight 416.3 g/mol
Molecular Formula C16H15F7N2O3
Exact Mass 416.097089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlRu5x6ozp2
Name 1-(3,4-Methylenedioxybenzyl)piperazine HFB
Classification Piperazine derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 416.097089489 u
Formula C16H15F7N2O3
InChI InChI=1S/C16H15F7N2O3/c17-14(18,15(19,20)16(21,22)23)13(26)25-5-3-24(4-6-25)8-10-1-2-11-12(7-10)28-9-27-11/h1-2,7H,3-6,8-9H2
InChIKey CEOUNYCXGKQTNL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 416.296 g/mol
Nominal Mass 416 u
Quality 995
Retention Index 2115
SMILES C(C(C(F)(F)F)(F)F)(C(N1CCN(CC=2C=C3C(=CC2)OCO3)CC1)=O)(F)F
SPLASH splash10-000i-9600000000-99ff7df280f93b777b55
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms MDBZP HFB 1-(4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
Technique GC/MS
Wiley ID DD2024_010804