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Pimelic acid, 4-methylcyclohexyl pentadecyl ester isomer 1
SpectraBase Compound ID CPJoKo2XNNQ
InChI InChI=1S/C29H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-32-28(30)19-16-15-17-20-29(31)33-27-23-21-26(2)22-24-27/h26-27H,3-25H2,1-2H3
InChIKey VVMMHQLKGVDXAF-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qrdmOuIa99
Name Pimelic acid, 4-methylcyclohexyl pentadecyl ester isomer 1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-32-28(30)19-16-15-17-20-29(31)33-27-23-21-26(2)22-24-27/h26-27H,3-25H2,1-2H3
InChIKey VVMMHQLKGVDXAF-UHFFFAOYSA-N
Molecular Weight 466.747 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-9700000000-5be253106ef9d6171054
Source of Spectrum TIPS-2022-515-0
Wiley ID 1822032