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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl nonyl ester
SpectraBase Compound ID 2qCxTUvHivC
InChI InChI=1S/C23H44O4/c1-6-7-8-9-10-11-15-18-26-21(24)16-13-12-14-17-22(25)27-23(19(2)3)20(4)5/h19-20,23H,6-18H2,1-5H3
InChIKey GMEPFRHOKBXBGZ-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C23H44O4
Exact Mass 384.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1Oj96Vf7wm
Name Pimelic acid, 2,4-dimethylpent-3-yl nonyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H44O4
InChI InChI=1S/C23H44O4/c1-6-7-8-9-10-11-15-18-26-21(24)16-13-12-14-17-22(25)27-23(19(2)3)20(4)5/h19-20,23H,6-18H2,1-5H3
InChIKey GMEPFRHOKBXBGZ-UHFFFAOYSA-N
Molecular Weight 384.601 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCCC)=O
SPLASH splash10-052f-9710000000-d1e33e1871e990f1f88a
Source of Spectrum TIPS-2022-858-0
Wiley ID 1822375