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Pimelic acid, 4-(tert-butyl)cyclohexyl isobutyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-(tert-butyl)cyclohexyl isobutyl ester isomer 1
SpectraBase Compound ID A9L3aaYxvEt
InChI InChI=1S/C21H38O4/c1-16(2)15-24-19(22)9-7-6-8-10-20(23)25-18-13-11-17(12-14-18)21(3,4)5/h16-18H,6-15H2,1-5H3
InChIKey HNILMUSFYLNSEM-UHFFFAOYSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FP82fimAiiP
Name Pimelic acid, 4-(tert-butyl)cyclohexyl isobutyl ester isomer 1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-16(2)15-24-19(22)9-7-6-8-10-20(23)25-18-13-11-17(12-14-18)21(3,4)5/h16-18H,6-15H2,1-5H3
InChIKey HNILMUSFYLNSEM-UHFFFAOYSA-N
Molecular Weight 354.531 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C(C)(C)C)=O)(OCC(C)C)=O
SPLASH splash10-052g-9800000000-293a1bdb891cd410ca6a
Source of Spectrum TIPS-2022-702-0
Wiley ID 1822219