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Pimelic acid, 2-(tert-butyl)cyclohexyl ethyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 2-(tert-butyl)cyclohexyl ethyl ester isomer 1
SpectraBase Compound ID LMyLeKusHgK
InChI InChI=1S/C19H34O4/c1-5-22-17(20)13-7-6-8-14-18(21)23-16-12-10-9-11-15(16)19(2,3)4/h15-16H,5-14H2,1-4H3
InChIKey RPCCAXJOOKKILF-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 4z4XbOAm1jm
Name Pimelic acid, 2-(tert-butyl)cyclohexyl ethyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H34O4
InChI InChI=1S/C19H34O4/c1-5-22-17(20)13-7-6-8-14-18(21)23-16-12-10-9-11-15(16)19(2,3)4/h15-16H,5-14H2,1-4H3
InChIKey RPCCAXJOOKKILF-UHFFFAOYSA-N
Molecular Weight 326.477 g/mol
SMILES C(CCCCCC(OC1C(CCCC1)C(C)(C)C)=O)(OCC)=O
SPLASH splash10-00di-6900000000-5ffbe1f63492e5e88cc4
Source of Spectrum TIPS-2022-670-0
Wiley ID 1822187