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Pimelic acid, 3-ethylphenyl decyl ester
SpectraBase Compound ID ISIPQGJCcSX
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-14-20-28-24(26)18-12-11-13-19-25(27)29-23-17-15-16-22(4-2)21-23/h15-17,21H,3-14,18-20H2,1-2H3
InChIKey XZKILGIASMOKGH-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eos3M2Fedu
Name Pimelic acid, 3-ethylphenyl decyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-14-20-28-24(26)18-12-11-13-19-25(27)29-23-17-15-16-22(4-2)21-23/h15-17,21H,3-14,18-20H2,1-2H3
InChIKey XZKILGIASMOKGH-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)CC)=O)(OCCCCCCCCCC)=O
SPLASH splash10-00dl-6910000000-0fc31bc4e19b8c1e689b
Source of Spectrum TIPS-2022-494-0
Wiley ID 1822011