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Pimelic acid, 4-methylcyclohexyl octyl ester isomer 1
SpectraBase Compound ID Kea7wi2LuEj
InChI InChI=1S/C22H40O4/c1-3-4-5-6-7-11-18-25-21(23)12-9-8-10-13-22(24)26-20-16-14-19(2)15-17-20/h19-20H,3-18H2,1-2H3
InChIKey PLAPKUBSVIMYKQ-UHFFFAOYSA-N
Mol Weight 368.6 g/mol
Molecular Formula C22H40O4
Exact Mass 368.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XjzbA4DPZs
Name Pimelic acid, 4-methylcyclohexyl octyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40O4
InChI InChI=1S/C22H40O4/c1-3-4-5-6-7-11-18-25-21(23)12-9-8-10-13-22(24)26-20-16-14-19(2)15-17-20/h19-20H,3-18H2,1-2H3
InChIKey PLAPKUBSVIMYKQ-UHFFFAOYSA-N
Molecular Weight 368.558 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCCCCCC)=O
SPLASH splash10-052f-9720000000-dbe43c400964f31e1237
Source of Spectrum TIPS-2022-524-0
Wiley ID 1822041