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Pimelic acid, 4-methylcyclohexyl propyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-methylcyclohexyl propyl ester isomer 1
SpectraBase Compound ID F3bQHVQcBCt
InChI InChI=1S/C17H30O4/c1-3-13-20-16(18)7-5-4-6-8-17(19)21-15-11-9-14(2)10-12-15/h14-15H,3-13H2,1-2H3
InChIKey SWAVFYVSHKHDEI-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WT0RYQmwaP
Name Pimelic acid, 4-methylcyclohexyl propyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-3-13-20-16(18)7-5-4-6-8-17(19)21-15-11-9-14(2)10-12-15/h14-15H,3-13H2,1-2H3
InChIKey SWAVFYVSHKHDEI-UHFFFAOYSA-N
Molecular Weight 298.423 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCC)=O
SPLASH splash10-002o-7900000000-8f6c339b98627008e23c
Source of Spectrum TIPS-2022-518-0
Wiley ID 1822035