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Pimelic acid, 3-methylbut-2-yl heptadecyl ester
SpectraBase Compound ID BHF4WL4yEKy
InChI InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-28(30)23-20-19-21-24-29(31)33-27(4)26(2)3/h26-27H,5-25H2,1-4H3
InChIKey RJFQYFRSXWQCDL-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fzk0QSTAtf
Name Pimelic acid, 3-methylbut-2-yl heptadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-28(30)23-20-19-21-24-29(31)33-27(4)26(2)3/h26-27H,5-25H2,1-4H3
InChIKey RJFQYFRSXWQCDL-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(CCCCCC(OC(C(C)C)C)=O)(OCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-7900000000-0c3bb4db7c25711ce910
Source of Spectrum TIPS-2022-1012-0
Wiley ID 1822529