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Pimelic acid, 2-(tert-butyl)cyclohexyl undecyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 2-(tert-butyl)cyclohexyl undecyl ester isomer 1
SpectraBase Compound ID 7OXDSCSSISN
InChI InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-18-23-31-26(29)21-14-13-15-22-27(30)32-25-20-17-16-19-24(25)28(2,3)4/h24-25H,5-23H2,1-4H3
InChIKey XFXDZOSSRKYONE-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YbukHZMHf4
Name Pimelic acid, 2-(tert-butyl)cyclohexyl undecyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-18-23-31-26(29)21-14-13-15-22-27(30)32-25-20-17-16-19-24(25)28(2,3)4/h24-25H,5-23H2,1-4H3
InChIKey XFXDZOSSRKYONE-UHFFFAOYSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCCC(OC1C(CCCC1)C(C)(C)C)=O)(OCCCCCCCCCCC)=O
SPLASH splash10-052f-9620000000-3ced5a012bbe3ed1c8db
Source of Spectrum TIPS-2022-679-0
Wiley ID 1822196