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Pimelic acid, 3-ethylphenyl isobutyl ester
SpectraBase Compound ID 4t6tVCY1Bsu
InChI InChI=1S/C19H28O4/c1-4-16-9-8-10-17(13-16)23-19(21)12-7-5-6-11-18(20)22-14-15(2)3/h8-10,13,15H,4-7,11-12,14H2,1-3H3
InChIKey MHXJIICDOJQZJI-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 9ggZyYKTwZZ
Name Pimelic acid, 3-ethylphenyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-4-16-9-8-10-17(13-16)23-19(21)12-7-5-6-11-18(20)22-14-15(2)3/h8-10,13,15H,4-7,11-12,14H2,1-3H3
InChIKey MHXJIICDOJQZJI-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)CC)=O)(OCC(C)C)=O
SPLASH splash10-05fu-5900000000-fcfb4c509fdb546ce7bf
Source of Spectrum TIPS-2022-486-0
Wiley ID 1822003