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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl tetradecyl ester
SpectraBase Compound ID 3ez9EO2hbWk
InChI InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-31-26(29)21-18-17-19-22-27(30)32-28(24(2)3)25(4)5/h24-25,28H,6-23H2,1-5H3
InChIKey JZOQSAPFTFSMLJ-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 7JMnVtr57rl
Name Pimelic acid, 2,4-dimethylpent-3-yl tetradecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-31-26(29)21-18-17-19-22-27(30)32-28(24(2)3)25(4)5/h24-25,28H,6-23H2,1-5H3
InChIKey JZOQSAPFTFSMLJ-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9700000000-d1277e037f19aeb9850b
Source of Spectrum TIPS-2022-863-0
Wiley ID 1822380