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Pimelic acid, 3-ethylphenyl dodecyl ester
SpectraBase Compound ID 426silApOR2
InChI InChI=1S/C27H44O4/c1-3-5-6-7-8-9-10-11-12-16-22-30-26(28)20-14-13-15-21-27(29)31-25-19-17-18-24(4-2)23-25/h17-19,23H,3-16,20-22H2,1-2H3
InChIKey WJFWJCWWCWXTOT-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXR6fWWTnn3
Name Pimelic acid, 3-ethylphenyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-5-6-7-8-9-10-11-12-16-22-30-26(28)20-14-13-15-21-27(29)31-25-19-17-18-24(4-2)23-25/h17-19,23H,3-16,20-22H2,1-2H3
InChIKey WJFWJCWWCWXTOT-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)CC)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-00dl-5901000000-b0cc579df0bf5e24e605
Source of Spectrum TIPS-2022-496-0
Wiley ID 1822013