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Pimelic acid, 2,3-dimethylphenyl nonyl ester
SpectraBase Compound ID 5p6pEP3nU8I
InChI InChI=1S/C24H38O4/c1-4-5-6-7-8-9-13-19-27-23(25)17-11-10-12-18-24(26)28-22-16-14-15-20(2)21(22)3/h14-16H,4-13,17-19H2,1-3H3
InChIKey KNVILNBHFHGPLU-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43BqyHO5g5z
Name Pimelic acid, 2,3-dimethylphenyl nonyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-4-5-6-7-8-9-13-19-27-23(25)17-11-10-12-18-24(26)28-22-16-14-15-20(2)21(22)3/h14-16H,4-13,17-19H2,1-3H3
InChIKey KNVILNBHFHGPLU-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(CCCCCC(Oc1cccc(c1C)C)=O)(OCCCCCCCCC)=O
SPLASH splash10-00di-4910000000-1ddc5ed4b9e0a966a102
Source of Spectrum TIPS-2022-478-0
Wiley ID 1821995