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Pimelic acid, 4-heptyl nonyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 4-heptyl nonyl ester
SpectraBase Compound ID m5aFmykDCP
InChI InChI=1S/C23H44O4/c1-4-7-8-9-10-11-15-20-26-22(24)18-13-12-14-19-23(25)27-21(16-5-2)17-6-3/h21H,4-20H2,1-3H3
InChIKey XTSKBGCMRPJPCI-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C23H44O4
Exact Mass 384.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ty3tnD0JdF
Name Pimelic acid, 4-heptyl nonyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H44O4
InChI InChI=1S/C23H44O4/c1-4-7-8-9-10-11-15-20-26-22(24)18-13-12-14-19-23(25)27-21(16-5-2)17-6-3/h21H,4-20H2,1-3H3
InChIKey XTSKBGCMRPJPCI-UHFFFAOYSA-N
Molecular Weight 384.601 g/mol
SMILES C(CCCCCC(OC(CCC)CCC)=O)(OCCCCCCCCC)=O
SPLASH splash10-0006-8910000000-548325dd833be7e19bef
Source of Spectrum TIPS-2022-826-0
Wiley ID 1822343