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Pimelic acid, 2-ethylphenyl butyl ester
SpectraBase Compound ID 9zVCkcaEcOe
InChI InChI=1S/C19H28O4/c1-3-5-15-22-18(20)13-7-6-8-14-19(21)23-17-12-10-9-11-16(17)4-2/h9-12H,3-8,13-15H2,1-2H3
InChIKey KODLQQRFSDMGBQ-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TRhspBi2jU
Name Pimelic acid, 2-ethylphenyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-3-5-15-22-18(20)13-7-6-8-14-19(21)23-17-12-10-9-11-16(17)4-2/h9-12H,3-8,13-15H2,1-2H3
InChIKey KODLQQRFSDMGBQ-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CC)=O)(OCCCC)=O
SPLASH splash10-05be-6900000000-df83a8adb0acdadaafcd
Source of Spectrum TIPS-2022-425-0
Wiley ID 1821942