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Pimelic acid, 4-methylcyclohexyl hexyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-methylcyclohexyl hexyl ester isomer 1
SpectraBase Compound ID BO35k5EGKhC
InChI InChI=1S/C20H36O4/c1-3-4-5-9-16-23-19(21)10-7-6-8-11-20(22)24-18-14-12-17(2)13-15-18/h17-18H,3-16H2,1-2H3
InChIKey PWJOJDYARWOYLI-UHFFFAOYSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bq0x4H8QmK8
Name Pimelic acid, 4-methylcyclohexyl hexyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-3-4-5-9-16-23-19(21)10-7-6-8-11-20(22)24-18-14-12-17(2)13-15-18/h17-18H,3-16H2,1-2H3
InChIKey PWJOJDYARWOYLI-UHFFFAOYSA-N
Molecular Weight 340.504 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCCCC)=O
SPLASH splash10-002f-9720000000-152c0ca94146e954fc5b
Source of Spectrum TIPS-2022-523-0
Wiley ID 1822040