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Pimelic acid, di(4-methylcyclohexyl) ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, di(4-methylcyclohexyl) ester isomer 1
SpectraBase Compound ID 9yVCRd7P4qu
InChI InChI=1S/C21H36O4/c1-16-8-12-18(13-9-16)24-20(22)6-4-3-5-7-21(23)25-19-14-10-17(2)11-15-19/h16-19H,3-15H2,1-2H3
InChIKey QESRQOUBLQOVLU-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nkOfhl0mwx
Name Pimelic acid, di(4-methylcyclohexyl) ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-16-8-12-18(13-9-16)24-20(22)6-4-3-5-7-21(23)25-19-14-10-17(2)11-15-19/h16-19H,3-15H2,1-2H3
InChIKey QESRQOUBLQOVLU-UHFFFAOYSA-N
Molecular Weight 352.515 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OC1CCC(CC1)C)=O
SPLASH splash10-0006-7900000000-0e1db0980600662704db
Source of Spectrum TIPS-2022-533-0
Wiley ID 1822050