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Pimelic acid, 4-heptyl heptadecyl ester
SpectraBase Compound ID HflKrFXeqVg
InChI InChI=1S/C31H60O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-34-30(32)26-21-20-22-27-31(33)35-29(24-5-2)25-6-3/h29H,4-28H2,1-3H3
InChIKey PJDLBZLDOHEEDX-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C31H60O4
Exact Mass 496.44916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 174V3G4wRDB
Name Pimelic acid, 4-heptyl heptadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H60O4
InChI InChI=1S/C31H60O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-34-30(32)26-21-20-22-27-31(33)35-29(24-5-2)25-6-3/h29H,4-28H2,1-3H3
InChIKey PJDLBZLDOHEEDX-UHFFFAOYSA-N
Molecular Weight 496.817 g/mol
SMILES C(CCCCCC(OC(CCC)CCC)=O)(OCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-7900000000-2b5432252944d4e9d78d
Source of Spectrum TIPS-2022-833-0
Wiley ID 1822350