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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl isobutyl ester
SpectraBase Compound ID 8LXbhFqQRmz
InChI InChI=1S/C18H34O4/c1-13(2)12-21-16(19)10-8-7-9-11-17(20)22-18(14(3)4)15(5)6/h13-15,18H,7-12H2,1-6H3
InChIKey IUBDEDVEMACBKT-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qgCcBDuWEn
Name Pimelic acid, 2,4-dimethylpent-3-yl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-13(2)12-21-16(19)10-8-7-9-11-17(20)22-18(14(3)4)15(5)6/h13-15,18H,7-12H2,1-6H3
InChIKey IUBDEDVEMACBKT-UHFFFAOYSA-N
Molecular Weight 314.466 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCC(C)C)=O
SPLASH splash10-052f-9800000000-c00371a1a1d04e1c9f0d
Source of Spectrum TIPS-2022-852-0
Wiley ID 1822369