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Pimelic acid, 4-methylcyclohexyl 4-methylpent-2-yl ester isomer 1
SpectraBase Compound ID W5z3UpZIi7
InChI InChI=1S/C20H36O4/c1-15(2)14-17(4)23-19(21)8-6-5-7-9-20(22)24-18-12-10-16(3)11-13-18/h15-18H,5-14H2,1-4H3
InChIKey MKMUHGSOMXFNGK-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 2kI2gaztnk
Name Pimelic acid, 4-methylcyclohexyl 4-methylpent-2-yl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-15(2)14-17(4)23-19(21)8-6-5-7-9-20(22)24-18-12-10-16(3)11-13-18/h15-18H,5-14H2,1-4H3
InChIKey MKMUHGSOMXFNGK-UHFFFAOYSA-N
Molecular Weight 340.504 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0006-8900000000-dbfc881bff817d9a0fc9
Source of Spectrum TIPS-2022-522-0
Wiley ID 1822039