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Pimelic acid, 4-methylcyclohexyl pentyl ester isomer 1
SpectraBase Compound ID 8As5aJV9rix
InChI InChI=1S/C19H34O4/c1-3-4-8-15-22-18(20)9-6-5-7-10-19(21)23-17-13-11-16(2)12-14-17/h16-17H,3-15H2,1-2H3
InChIKey NVOALVYREPSTBL-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C19H34O4
Exact Mass 326.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3trHi9Y2hNQ
Name Pimelic acid, 4-methylcyclohexyl pentyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H34O4
InChI InChI=1S/C19H34O4/c1-3-4-8-15-22-18(20)9-6-5-7-10-19(21)23-17-13-11-16(2)12-14-17/h16-17H,3-15H2,1-2H3
InChIKey NVOALVYREPSTBL-UHFFFAOYSA-N
Molecular Weight 326.477 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCCC)=O
SPLASH splash10-0006-9720000000-8820579dcd70c078f5b5
Source of Spectrum TIPS-2022-521-0
Wiley ID 1822038