Debug Info

object
{15}
_id
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HkXeFEJxjJ1
spectrumID
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HkXeFEJxjJ1
cost
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specType
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131072
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dbLocation
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WMS3X:565902:1
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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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spectralOutlier
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compound
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Pimelic acid, 3-fluorophenyl hexadecyl ester
SpectraBase Compound ID G69NTxjusXB
InChI InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-33-28(31)22-16-15-17-23-29(32)34-27-21-19-20-26(30)25-27/h19-21,25H,2-18,22-24H2,1H3
InChIKey VXBVRTACLQBSSP-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C29H47FO4
Exact Mass 478.345838 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkXeFEJxjJ1
Name Pimelic acid, 3-fluorophenyl hexadecyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47FO4
InChI InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-33-28(31)22-16-15-17-23-29(32)34-27-21-19-20-26(30)25-27/h19-21,25H,2-18,22-24H2,1H3
InChIKey VXBVRTACLQBSSP-UHFFFAOYSA-N
Molecular Weight 478.689 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCCCCCCCCCCCCCCCC)=O
SPLASH splash10-002f-9701000000-2d72a6e9ea20b7d0ecb6
Source of Spectrum TIPS-2022-379-0
Wiley ID 1821896
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