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Pimelic acid, 2,4-dimethylpent-3-yl hexadecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl hexadecyl ester
SpectraBase Compound ID 3HL6qheB4qj
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-33-28(31)23-20-19-21-24-29(32)34-30(26(2)3)27(4)5/h26-27,30H,6-25H2,1-5H3
InChIKey WRVXPMFCTFBSHG-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBCXjSJCIsw
Name Pimelic acid, 2,4-dimethylpent-3-yl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-33-28(31)23-20-19-21-24-29(32)34-30(26(2)3)27(4)5/h26-27,30H,6-25H2,1-5H3
InChIKey WRVXPMFCTFBSHG-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9800000000-d93bbd15b099809b3da0
Source of Spectrum TIPS-2022-865-0
Wiley ID 1822382