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Pimelic acid, di(4-(tert-butyl)cyclohexyl) ester isomer 1

View entire compound with spectra: 3 MS (GC)

Pimelic acid, di(4-(tert-butyl)cyclohexyl) ester isomer 1
SpectraBase Compound ID AvVniYVE2w
InChI InChI=1S/C27H48O4/c1-26(2,3)20-12-16-22(17-13-20)30-24(28)10-8-7-9-11-25(29)31-23-18-14-21(15-19-23)27(4,5)6/h20-23H,7-19H2,1-6H3
InChIKey WYFZSAFJAPPJTF-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DJr9vT2FJk
Name Pimelic acid, di(4-(tert-butyl)cyclohexyl) ester isomer 3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-26(2,3)20-12-16-22(17-13-20)30-24(28)10-8-7-9-11-25(29)31-23-18-14-21(15-19-23)27(4,5)6/h20-23H,7-19H2,1-6H3
InChIKey WYFZSAFJAPPJTF-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C(C)(C)C)=O)(OC1CCC(CC1)C(C)(C)C)=O
SPLASH splash10-06rx-9800000000-4d836afa19814a6099bf
Source of Spectrum TIPS-2022-725-0
Wiley ID 1822242