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Pimelic acid, 3-ethylphenyl 4-methylpent-2-yl ester
SpectraBase Compound ID 3pgb9UKPZu9
InChI InChI=1S/C21H32O4/c1-5-18-10-9-11-19(15-18)25-21(23)13-8-6-7-12-20(22)24-17(4)14-16(2)3/h9-11,15-17H,5-8,12-14H2,1-4H3
InChIKey XTIVUWYIAXMAAZ-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Xn2dt4QPAx
Name Pimelic acid, 3-ethylphenyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-5-18-10-9-11-19(15-18)25-21(23)13-8-6-7-12-20(22)24-17(4)14-16(2)3/h9-11,15-17H,5-8,12-14H2,1-4H3
InChIKey XTIVUWYIAXMAAZ-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)CC)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0096-5910000000-a46fd7533b6fd7880431
Source of Spectrum TIPS-2022-489-0
Wiley ID 1822006