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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl dodecyl ester
SpectraBase Compound ID FffskNdKIfJ
InChI InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-14-18-21-29-24(27)19-16-15-17-20-25(28)30-26(22(2)3)23(4)5/h22-23,26H,6-21H2,1-5H3
InChIKey UIFOOROWGUTYAR-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zIcPrQMi2M
Name Pimelic acid, 2,4-dimethylpent-3-yl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-14-18-21-29-24(27)19-16-15-17-20-25(28)30-26(22(2)3)23(4)5/h22-23,26H,6-21H2,1-5H3
InChIKey UIFOOROWGUTYAR-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-052f-9700000000-4e916efefc8e969cb2bf
Source of Spectrum TIPS-2022-861-0
Wiley ID 1822378