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Pimelic acid, 4-methylcyclohexyl tridecyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-methylcyclohexyl tridecyl ester isomer 1
SpectraBase Compound ID GvxuEZ1A9Hk
InChI InChI=1S/C27H50O4/c1-3-4-5-6-7-8-9-10-11-12-16-23-30-26(28)17-14-13-15-18-27(29)31-25-21-19-24(2)20-22-25/h24-25H,3-23H2,1-2H3
InChIKey BFXHPCYQQRBQLB-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVZgOGGWRWI
Name Pimelic acid, 4-methylcyclohexyl tridecyl ester isomer 2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-3-4-5-6-7-8-9-10-11-12-16-23-30-26(28)17-14-13-15-18-27(29)31-25-21-19-24(2)20-22-25/h24-25H,3-23H2,1-2H3
InChIKey BFXHPCYQQRBQLB-UHFFFAOYSA-N
Molecular Weight 438.693 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-002f-9801000000-a40ba6ec86d79522a7a2
Source of Spectrum TIPS-2022-529-0
Wiley ID 1822046