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Pimelic acid, 2,3-dimethylphenyl pentyl ester
SpectraBase Compound ID I33itQo95wx
InChI InChI=1S/C20H30O4/c1-4-5-9-15-23-19(21)13-7-6-8-14-20(22)24-18-12-10-11-16(2)17(18)3/h10-12H,4-9,13-15H2,1-3H3
InChIKey XDEFSNSPHUJHAT-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 Hk4uMg5dkRi
Name Pimelic acid, 2,3-dimethylphenyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-4-5-9-15-23-19(21)13-7-6-8-14-20(22)24-18-12-10-11-16(2)17(18)3/h10-12H,4-9,13-15H2,1-3H3
InChIKey XDEFSNSPHUJHAT-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(CCCCCC(Oc1cccc(c1C)C)=O)(OCCCCC)=O
SPLASH splash10-00di-4910000000-3bc9e1b13fc8d3eae63d
Source of Spectrum TIPS-2022-473-0
Wiley ID 1821990