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Pimelic acid, 2,3-dimethylphenyl isobutyl ester
SpectraBase Compound ID 5NKV3VWZiKu
InChI InChI=1S/C19H28O4/c1-14(2)13-22-18(20)11-6-5-7-12-19(21)23-17-10-8-9-15(3)16(17)4/h8-10,14H,5-7,11-13H2,1-4H3
InChIKey VZQXXDYRLZIQKI-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 1NtyRvfV1Uo
Name Pimelic acid, 2,3-dimethylphenyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-14(2)13-22-18(20)11-6-5-7-12-19(21)23-17-10-8-9-15(3)16(17)4/h8-10,14H,5-7,11-13H2,1-4H3
InChIKey VZQXXDYRLZIQKI-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C(CCCCCC(Oc1cccc(c1C)C)=O)(OCC(C)C)=O
SPLASH splash10-00di-4900000000-180f71cf839711d312e4
Source of Spectrum TIPS-2022-471-0
Wiley ID 1821988