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Pimelic acid, hex-3-yl pentadecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, hex-3-yl pentadecyl ester
SpectraBase Compound ID 2gpgi6C64iv
InChI InChI=1S/C28H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-25-31-27(29)23-19-18-20-24-28(30)32-26(6-3)22-5-2/h26H,4-25H2,1-3H3
InChIKey ZTMWNGNETGUUPF-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUfbixJWs1x
Name Pimelic acid, hex-3-yl pentadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-25-31-27(29)23-19-18-20-24-28(30)32-26(6-3)22-5-2/h26H,4-25H2,1-3H3
InChIKey ZTMWNGNETGUUPF-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(CCCCCC(OC(CCC)CC)=O)(OCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-7900000000-fedf7821c59e5fe4978d
Source of Spectrum TIPS-2022-969-0
Wiley ID 1822486