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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl tridecyl ester
SpectraBase Compound ID KT3SryBfNRp
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-19-22-30-25(28)20-17-16-18-21-26(29)31-27(23(2)3)24(4)5/h23-24,27H,6-22H2,1-5H3
InChIKey GPOAKTOYWDUIQK-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 2a74mGJo06l
Name Pimelic acid, 2,4-dimethylpent-3-yl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-19-22-30-25(28)20-17-16-18-21-26(29)31-27(23(2)3)24(4)5/h23-24,27H,6-22H2,1-5H3
InChIKey GPOAKTOYWDUIQK-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9800000000-71e10750e2e1e5f2904a
Source of Spectrum TIPS-2022-862-0
Wiley ID 1822379