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Pimelic acid, 3-methylbut-2-yl pentadecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 3-methylbut-2-yl pentadecyl ester
SpectraBase Compound ID 5mAq2hrOJ2Y
InChI InChI=1S/C27H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-26(28)21-18-17-19-22-27(29)31-25(4)24(2)3/h24-25H,5-23H2,1-4H3
InChIKey LCLPLSRSABJMGP-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NsJg9hn25f
Name Pimelic acid, 3-methylbut-2-yl pentadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-26(28)21-18-17-19-22-27(29)31-25(4)24(2)3/h24-25H,5-23H2,1-4H3
InChIKey LCLPLSRSABJMGP-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(CCCCCC(OC(C(C)C)C)=O)(OCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-7900000000-cb653f8182194df5f76e
Source of Spectrum TIPS-2022-1010-0
Wiley ID 1822527