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Pimelic acid, 3-fluorophenyl heptadecyl ester
SpectraBase Compound ID 1lHtuju4L0R
InChI InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-34-29(32)23-17-16-18-24-30(33)35-28-22-20-21-27(31)26-28/h20-22,26H,2-19,23-25H2,1H3
InChIKey QVGWVYHRKDYSCF-UHFFFAOYSA-N
Mol Weight 492.7 g/mol
Molecular Formula C30H49FO4
Exact Mass 492.361488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxheUWiXVju
Name Pimelic acid, 3-fluorophenyl heptadecyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H49FO4
InChI InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-34-29(32)23-17-16-18-24-30(33)35-28-22-20-21-27(31)26-28/h20-22,26H,2-19,23-25H2,1H3
InChIKey QVGWVYHRKDYSCF-UHFFFAOYSA-N
Molecular Weight 492.716 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-002f-9801000000-d42c76bdbdfeafdce3b3
Source of Spectrum TIPS-2022-380-0
Wiley ID 1821897