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Pimelic acid, 3-fluorophenyl octadecyl ester
SpectraBase Compound ID JTJDXbjINIv
InChI InChI=1S/C31H51FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-35-30(33)24-18-17-19-25-31(34)36-29-23-21-22-28(32)27-29/h21-23,27H,2-20,24-26H2,1H3
InChIKey WLIKHOYQOGNEAT-UHFFFAOYSA-N
Mol Weight 506.7 g/mol
Molecular Formula C31H51FO4
Exact Mass 506.377138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C416IpykBv6
Name Pimelic acid, 3-fluorophenyl octadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H51FO4
InChI InChI=1S/C31H51FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-35-30(33)24-18-17-19-25-31(34)36-29-23-21-22-28(32)27-29/h21-23,27H,2-20,24-26H2,1H3
InChIKey WLIKHOYQOGNEAT-UHFFFAOYSA-N
Molecular Weight 506.743 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-002f-9801000000-6d770e1fe7d9a418ba39
Source of Spectrum TIPS-2022-381-0
Wiley ID 1821898