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Pimelic acid, 2,4-dimethylpent-3-yl undecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl undecyl ester
SpectraBase Compound ID DzxCVvDsTZk
InChI InChI=1S/C25H48O4/c1-6-7-8-9-10-11-12-13-17-20-28-23(26)18-15-14-16-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-20H2,1-5H3
InChIKey JLWFRRSNZWIHBJ-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C25H48O4
Exact Mass 412.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KaPA8S0oCJ
Name Pimelic acid, 2,4-dimethylpent-3-yl undecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H48O4
InChI InChI=1S/C25H48O4/c1-6-7-8-9-10-11-12-13-17-20-28-23(26)18-15-14-16-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-20H2,1-5H3
InChIKey JLWFRRSNZWIHBJ-UHFFFAOYSA-N
Molecular Weight 412.655 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCCCCC)=O
SPLASH splash10-052f-9710000000-f1980c38aea6e1967d08
Source of Spectrum TIPS-2022-860-0
Wiley ID 1822377