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

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-(tert-butyl)cyclohexyl nonyl ester isomer 1
SpectraBase Compound ID GUGE9vxsOjL
InChI InChI=1S/C26H48O4/c1-5-6-7-8-9-10-14-21-29-24(27)15-12-11-13-16-25(28)30-23-19-17-22(18-20-23)26(2,3)4/h22-23H,5-21H2,1-4H3
InChIKey HCWHHMYAFVVKNK-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0nZDaOL0RE
Name Pimelic acid, 4-(tert-butyl)cyclohexyl nonyl ester isomer 1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-5-6-7-8-9-10-14-21-29-24(27)15-12-11-13-16-25(28)30-23-19-17-22(18-20-23)26(2,3)4/h22-23H,5-21H2,1-4H3
InChIKey HCWHHMYAFVVKNK-UHFFFAOYSA-N
Molecular Weight 424.666 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C(C)(C)C)=O)(OCCCCCCCCC)=O
SPLASH splash10-05mo-9620000000-63992dd954a155e05164
Source of Spectrum TIPS-2022-708-0
Wiley ID 1822225