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

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 2-(tert-butyl)cyclohexyl propyl ester isomer 1
SpectraBase Compound ID 5sFW2ajyyYs
InChI InChI=1S/C20H36O4/c1-5-15-23-18(21)13-7-6-8-14-19(22)24-17-12-10-9-11-16(17)20(2,3)4/h16-17H,5-15H2,1-4H3
InChIKey JFFKHNHXLGUUKV-UHFFFAOYSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAfWvmaOth1
Name Pimelic acid, 2-(tert-butyl)cyclohexyl propyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-5-15-23-18(21)13-7-6-8-14-19(22)24-17-12-10-9-11-16(17)20(2,3)4/h16-17H,5-15H2,1-4H3
InChIKey JFFKHNHXLGUUKV-UHFFFAOYSA-N
Molecular Weight 340.504 g/mol
SMILES C(CCCCCC(OC1C(CCCC1)C(C)(C)C)=O)(OCCC)=O
SPLASH splash10-000l-6910000000-ec6b01e7a8871b374a42
Source of Spectrum TIPS-2022-671-0
Wiley ID 1822188