Debug Info

object
{15}
_id
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K8xP7wdwHtp
spectrumID
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K8xP7wdwHtp
cost
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specType
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131072
xnmrNucleus
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WMS3X:502421:1
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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compound
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1735074081058
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1-[4-[4-(3,4-Difluoro-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl]-butan-1-one
SpectraBase Compound ID 4XrTpxz3wv5
InChI InChI=1S/C21H21F3N2O2/c1-2-3-20(27)14-5-7-19(18(24)12-14)25-8-10-26(11-9-25)21(28)15-4-6-16(22)17(23)13-15/h4-7,12-13H,2-3,8-11H2,1H3
InChIKey ASJZPCDZYPPJHF-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C21H21F3N2O2
Exact Mass 390.155512 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8xP7wdwHtp
Name 1-[4-[4-(3,4-Difluoro-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl]-butan-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F3N2O2
InChI InChI=1S/C21H21F3N2O2/c1-2-3-20(27)14-5-7-19(18(24)12-14)25-8-10-26(11-9-25)21(28)15-4-6-16(22)17(23)13-15/h4-7,12-13H,2-3,8-11H2,1H3
InChIKey ASJZPCDZYPPJHF-UHFFFAOYSA-N
Molecular Weight 390.406 g/mol
SMILES C(N1CCN(CC1)c1c(cc(cc1)C(=O)CCC)F)(c1cc(F)c(cc1)F)=O
SPLASH splash10-05fu-5891000000-e1b022dc5f782710e1df
Synonyms 1-(4-[4-(3,4-Difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl)-1-butanone 1-[4-[4-(3,4-difluorobenzoyl)piperazino]-3-fluoro-phenyl]butan-1-one 1-[4-[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazinyl]-3-fluorophenyl]-1-butanone 1-[4-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]butan-1-one 1-[4-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]butan-1-one
Wiley ID 1461976
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