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Pimelic acid, 2-propylphenyl isobutyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2-propylphenyl isobutyl ester
SpectraBase Compound ID LYDsULx5ma9
InChI InChI=1S/C20H30O4/c1-4-10-17-11-8-9-12-18(17)24-20(22)14-7-5-6-13-19(21)23-15-16(2)3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3
InChIKey PJAQEQHHMCTKEA-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZTYagdLpvB
Name Pimelic acid, 2-propylphenyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-4-10-17-11-8-9-12-18(17)24-20(22)14-7-5-6-13-19(21)23-15-16(2)3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3
InChIKey PJAQEQHHMCTKEA-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(OCC(C)C)=O
SPLASH splash10-0a4m-7900000000-0f0ca38ff134ea55704e
Source of Spectrum TIPS-2022-407-0
Wiley ID 1821924