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Pimelic acid, 3-fluorophenyl heptyl ester
SpectraBase Compound ID KgfSuF9Dthd
InChI InChI=1S/C20H29FO4/c1-2-3-4-5-9-15-24-19(22)13-7-6-8-14-20(23)25-18-12-10-11-17(21)16-18/h10-12,16H,2-9,13-15H2,1H3
InChIKey ASPITOFOCRAYLQ-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H29FO4
Exact Mass 352.204988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tg5hamCFzm
Name Pimelic acid, 3-fluorophenyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29FO4
InChI InChI=1S/C20H29FO4/c1-2-3-4-5-9-15-24-19(22)13-7-6-8-14-20(23)25-18-12-10-11-17(21)16-18/h10-12,16H,2-9,13-15H2,1H3
InChIKey ASPITOFOCRAYLQ-UHFFFAOYSA-N
Molecular Weight 352.446 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCCCCCCC)=O
SPLASH splash10-054o-9610000000-1fdec36e57ea5b967862
Source of Spectrum TIPS-2022-371-0
Wiley ID 1821888