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Pimelic acid, 3-fluorophenyl octyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 3-fluorophenyl octyl ester
SpectraBase Compound ID DZKHiAXOBNs
InChI InChI=1S/C21H31FO4/c1-2-3-4-5-6-10-16-25-20(23)14-8-7-9-15-21(24)26-19-13-11-12-18(22)17-19/h11-13,17H,2-10,14-16H2,1H3
InChIKey NGZUMLJBTCYLLT-UHFFFAOYSA-N
Mol Weight 366.47 g/mol
Molecular Formula C21H31FO4
Exact Mass 366.220638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 180SE1kr1E
Name Pimelic acid, 3-fluorophenyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31FO4
InChI InChI=1S/C21H31FO4/c1-2-3-4-5-6-10-16-25-20(23)14-8-7-9-15-21(24)26-19-13-11-12-18(22)17-19/h11-13,17H,2-10,14-16H2,1H3
InChIKey NGZUMLJBTCYLLT-UHFFFAOYSA-N
Molecular Weight 366.473 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCCCCCCCC)=O
SPLASH splash10-052f-9510000000-95ee6d17ab5fd6e44815
Source of Spectrum TIPS-2022-372-0
Wiley ID 1821889