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Pimelic acid, di(2,4-dimethylpent-3-yl) ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, di(2,4-dimethylpent-3-yl) ester
SpectraBase Compound ID 1CIrtf8z5Nd
InChI InChI=1S/C21H40O4/c1-14(2)20(15(3)4)24-18(22)12-10-9-11-13-19(23)25-21(16(5)6)17(7)8/h14-17,20-21H,9-13H2,1-8H3
InChIKey AGZMILJJMFKDNI-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 LOIOPeHiF6V
Name Pimelic acid, di(2,4-dimethylpent-3-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-14(2)20(15(3)4)24-18(22)12-10-9-11-13-19(23)25-21(16(5)6)17(7)8/h14-17,20-21H,9-13H2,1-8H3
InChIKey AGZMILJJMFKDNI-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OC(C(C)C)C(C)C)=O
SPLASH splash10-0006-6900000000-956cae4f1be9c854ce16
Source of Spectrum TIPS-2022-868-0
Wiley ID 1822385