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Pimelic acid, 3-fluorophenyl hexyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 3-fluorophenyl hexyl ester
SpectraBase Compound ID 9ThwqflsCPS
InChI InChI=1S/C19H27FO4/c1-2-3-4-8-14-23-18(21)12-6-5-7-13-19(22)24-17-11-9-10-16(20)15-17/h9-11,15H,2-8,12-14H2,1H3
InChIKey ABTRGVVKIFLXJW-UHFFFAOYSA-N
Mol Weight 338.42 g/mol
Molecular Formula C19H27FO4
Exact Mass 338.189338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B13rJXvAvVw
Name Pimelic acid, 3-fluorophenyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27FO4
InChI InChI=1S/C19H27FO4/c1-2-3-4-8-14-23-18(21)12-6-5-7-13-19(22)24-17-11-9-10-16(20)15-17/h9-11,15H,2-8,12-14H2,1H3
InChIKey ABTRGVVKIFLXJW-UHFFFAOYSA-N
Molecular Weight 338.419 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCCCCCC)=O
SPLASH splash10-002f-9510000000-ddbbd4091dc430e2f5cc
Source of Spectrum TIPS-2022-370-0
Wiley ID 1821887