Debug Info

object
{15}
_id
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LSZQ2eDSP6Q
spectrumID
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LSZQ2eDSP6Q
cost
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specType
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131072
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dbLocation
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properties
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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lastUpdated
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3-(bis(4-fluorophenyl)methylene)-5-chloropentan-2-one
SpectraBase Compound ID Ep9KoTE0ybf
InChI InChI=1S/C18H15ClF2O/c1-12(22)17(10-11-19)18(13-2-6-15(20)7-3-13)14-4-8-16(21)9-5-14/h2-9H,10-11H2,1H3
InChIKey HCRHPJLVMXMZCN-UHFFFAOYSA-N
Mol Weight 320.77 g/mol
Molecular Formula C18H15ClF2O
Exact Mass 320.077949 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSZQ2eDSP6Q
Name 3-(bis(4-fluorophenyl)methylene)-5-chloropentan-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClF2O
InChI InChI=1S/C18H15ClF2O/c1-12(22)17(10-11-19)18(13-2-6-15(20)7-3-13)14-4-8-16(21)9-5-14/h2-9H,10-11H2,1H3
InChIKey HCRHPJLVMXMZCN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070331h
Molecular Weight 320.767 g/mol
SMILES C(=C(c1ccc(cc1)F)c1ccc(cc1)F)(CCCl)C(=O)C
SPLASH splash10-0a4j-9600000000-3b129673090fae43fcb1
Source of Spectrum A1-9-1667/SMS6-2l
Wiley ID 1758075
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