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Pimelic acid, 4-methyl-2-pentyl pentadecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 4-methyl-2-pentyl pentadecyl ester
SpectraBase Compound ID 1d2veVul1PF
InChI InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-27(29)21-18-17-19-22-28(30)32-26(4)24-25(2)3/h25-26H,5-24H2,1-4H3
InChIKey LWTYKQZIKBUBAH-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYHQGVxMcve
Name Pimelic acid, 4-methyl-2-pentyl pentadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-27(29)21-18-17-19-22-28(30)32-26(4)24-25(2)3/h25-26H,5-24H2,1-4H3
InChIKey LWTYKQZIKBUBAH-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(CCCCCC(OC(CC(C)C)C)=O)(OCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-9700000000-85cc3de64d9ed0e08f25
Source of Spectrum TIPS-2022-814-0
Wiley ID 1822331