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Pimelic acid, 2-methylpent-3-yl tetradecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2-methylpent-3-yl tetradecyl ester
SpectraBase Compound ID DzgytLC90Ra
InChI InChI=1S/C27H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-20-23-30-26(28)21-18-17-19-22-27(29)31-25(6-2)24(3)4/h24-25H,5-23H2,1-4H3
InChIKey ZKQUTTAUWIHBGP-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1stOdKHggWL
Name Pimelic acid, 2-methylpent-3-yl tetradecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-20-23-30-26(28)21-18-17-19-22-27(29)31-25(6-2)24(3)4/h24-25H,5-23H2,1-4H3
InChIKey ZKQUTTAUWIHBGP-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(CCCCCC(OC(CC)C(C)C)=O)(OCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-8900000000-f247dd65c829f5fe2e05
Source of Spectrum TIPS-2022-883-0
Wiley ID 1822400