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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl octyl ester
SpectraBase Compound ID BLlZPjppSrd
InChI InChI=1S/C22H42O4/c1-6-7-8-9-10-14-17-25-20(23)15-12-11-13-16-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3
InChIKey VOQUOBZOHXJWLH-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O4
Exact Mass 370.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jmp0EOYYG2c
Name Pimelic acid, 2,4-dimethylpent-3-yl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O4
InChI InChI=1S/C22H42O4/c1-6-7-8-9-10-14-17-25-20(23)15-12-11-13-16-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3
InChIKey VOQUOBZOHXJWLH-UHFFFAOYSA-N
Molecular Weight 370.574 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCC)=O
SPLASH splash10-052f-9720000000-75f06fb15a2f726d8d74
Source of Spectrum TIPS-2022-857-0
Wiley ID 1822374