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Pimelic acid, 4-(tert-butyl)cyclohexyl dodecyl ester isomer 2
SpectraBase Compound ID BwveOoIdnVC
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-17-24-32-27(30)18-15-14-16-19-28(31)33-26-22-20-25(21-23-26)29(2,3)4/h25-26H,5-24H2,1-4H3
InChIKey MDHXVFGPPHBSNN-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRDy0ueVqtz
Name Pimelic acid, 4-(tert-butyl)cyclohexyl dodecyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-17-24-32-27(30)18-15-14-16-19-28(31)33-26-22-20-25(21-23-26)29(2,3)4/h25-26H,5-24H2,1-4H3
InChIKey MDHXVFGPPHBSNN-UHFFFAOYSA-N
Molecular Weight 466.747 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C(C)(C)C)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-06r6-9601000000-0a96a9f7df1359f3bfa9
Source of Spectrum TIPS-2022-724-0
Wiley ID 1822241