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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl decyl ester
SpectraBase Compound ID D1CWBVqjBAE
InChI InChI=1S/C24H46O4/c1-6-7-8-9-10-11-12-16-19-27-22(25)17-14-13-15-18-23(26)28-24(20(2)3)21(4)5/h20-21,24H,6-19H2,1-5H3
InChIKey JKKJVPMYZLLTHN-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C24H46O4
Exact Mass 398.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xaODnqPhFZ
Name Pimelic acid, 2,4-dimethylpent-3-yl decyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H46O4
InChI InChI=1S/C24H46O4/c1-6-7-8-9-10-11-12-16-19-27-22(25)17-14-13-15-18-23(26)28-24(20(2)3)21(4)5/h20-21,24H,6-19H2,1-5H3
InChIKey JKKJVPMYZLLTHN-UHFFFAOYSA-N
Molecular Weight 398.628 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCCCC)=O
SPLASH splash10-052f-9710000000-73daff8d316306636d70
Source of Spectrum TIPS-2022-859-0
Wiley ID 1822376