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Pimelic acid, 4-methylcyclohexyl tetradecyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-methylcyclohexyl tetradecyl ester isomer 1
SpectraBase Compound ID GS3JEsFsBIh
InChI InChI=1S/C28H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-24-31-27(29)18-15-14-16-19-28(30)32-26-22-20-25(2)21-23-26/h25-26H,3-24H2,1-2H3
InChIKey BUBVNVIWFJZKEV-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOSbsLPr0NL
Name Pimelic acid, 4-methylcyclohexyl tetradecyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-24-31-27(29)18-15-14-16-19-28(30)32-26-22-20-25(2)21-23-26/h25-26H,3-24H2,1-2H3
InChIKey BUBVNVIWFJZKEV-UHFFFAOYSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-9701000000-d38fb44f44315c5cadea
Source of Spectrum TIPS-2022-530-0
Wiley ID 1822047