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Pimelic acid, 2,3-dimethylphenyl undecyl ester
SpectraBase Compound ID 3NKuZjFiveV
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-15-21-29-25(27)19-13-12-14-20-26(28)30-24-18-16-17-22(2)23(24)3/h16-18H,4-15,19-21H2,1-3H3
InChIKey IURSQUWQQZYLGS-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ga3RrgTn7T
Name Pimelic acid, 2,3-dimethylphenyl undecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-15-21-29-25(27)19-13-12-14-20-26(28)30-24-18-16-17-22(2)23(24)3/h16-18H,4-15,19-21H2,1-3H3
InChIKey IURSQUWQQZYLGS-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(CCCCCC(Oc1cccc(c1C)C)=O)(OCCCCCCCCCCC)=O
SPLASH splash10-00di-5910000000-3a3299e49a385981d19d
Source of Spectrum TIPS-2022-480-0
Wiley ID 1821997