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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl butyl ester
SpectraBase Compound ID BZtuYmYEA7y
InChI InChI=1S/C18H34O4/c1-6-7-13-21-16(19)11-9-8-10-12-17(20)22-18(14(2)3)15(4)5/h14-15,18H,6-13H2,1-5H3
InChIKey MPULDIXKEDIYMO-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 FtKaJ3UDJSX
Name Pimelic acid, 2,4-dimethylpent-3-yl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-6-7-13-21-16(19)11-9-8-10-12-17(20)22-18(14(2)3)15(4)5/h14-15,18H,6-13H2,1-5H3
InChIKey MPULDIXKEDIYMO-UHFFFAOYSA-N
Molecular Weight 314.466 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCC)=O
SPLASH splash10-054p-7900000000-b91ef0a0ee8ff1008298
Source of Spectrum TIPS-2022-853-0
Wiley ID 1822370