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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl heptyl ester
SpectraBase Compound ID EW84k1TzzcJ
InChI InChI=1S/C21H40O4/c1-6-7-8-9-13-16-24-19(22)14-11-10-12-15-20(23)25-21(17(2)3)18(4)5/h17-18,21H,6-16H2,1-5H3
InChIKey LXEMPJHKBJYVPX-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3n6yO9XsoC3
Name Pimelic acid, 2,4-dimethylpent-3-yl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-6-7-8-9-13-16-24-19(22)14-11-10-12-15-20(23)25-21(17(2)3)18(4)5/h17-18,21H,6-16H2,1-5H3
InChIKey LXEMPJHKBJYVPX-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCC)=O
SPLASH splash10-0006-9720000000-88c064d01cda48a15cbd
Source of Spectrum TIPS-2022-856-0
Wiley ID 1822373