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Pimelic acid, 2-ethylphenyl hexadecyl ester
SpectraBase Compound ID EWK7RsIMRcW
InChI InChI=1S/C31H52O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-27-34-30(32)25-18-17-19-26-31(33)35-29-24-21-20-23-28(29)4-2/h20-21,23-24H,3-19,22,25-27H2,1-2H3
InChIKey MUQMXEMLHNAOER-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1OfLEQVTr8
Name Pimelic acid, 2-ethylphenyl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-27-34-30(32)25-18-17-19-26-31(33)35-29-24-21-20-23-28(29)4-2/h20-21,23-24H,3-19,22,25-27H2,1-2H3
InChIKey MUQMXEMLHNAOER-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CC)=O)(OCCCCCCCCCCCCCCCC)=O
SPLASH splash10-05bf-7900000000-4cd61b5eede324025728
Source of Spectrum TIPS-2022-437-0
Wiley ID 1821954