Debug Info

object
{15}
_id
:
5jQ8f0z84v3
spectrumID
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5jQ8f0z84v3
cost
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1
specType
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131072
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dbLocation
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WMS3X:12745:1
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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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spectralOutlier
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compound
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1735074081058
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4-Hexen-3-one, 4-fluoro-
SpectraBase Compound ID 98MjhaMYJjI
InChI InChI=1S/C6H9FO/c1-3-5(7)6(8)4-2/h3H,4H2,1-2H3/b5-3+
InChIKey JJHRXJOQYHDDBS-HWKANZROSA-N
Mol Weight 116.14 g/mol
Molecular Formula C6H9FO
Exact Mass 116.063743 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jQ8f0z84v3
Name 4-Hexen-3-one, 4-fluoro-
CAS Registry Number 87161-13-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9FO
InChI InChI=1S/C6H9FO/c1-3-5(7)6(8)4-2/h3H,4H2,1-2H3/b5-3+
InChIKey JJHRXJOQYHDDBS-HWKANZROSA-N
Molecular Weight 116.135 g/mol
SMILES C(\C(=C/C)F)(=O)CC
SPLASH splash10-0a4r-9100000000-9ac70d92b9d4311d9f36
Source of Spectrum K-116-2651-0
Synonyms (4E)-4-fluoro-4-hexen-3-one 4-Fluoro-4-hexen-3-one
Wiley ID 1125420
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