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Pimelic acid, 4-(tert-butyl)cyclohexyl isohexyl ester isomer 2

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-(tert-butyl)cyclohexyl isohexyl ester isomer 2
SpectraBase Compound ID 6Rsk9yzEFOC
InChI InChI=1S/C23H42O4/c1-17(2)16-18(3)26-21(24)10-8-7-9-11-22(25)27-20-14-12-19(13-15-20)23(4,5)6/h17-20H,7-16H2,1-6H3
InChIKey UMURWMLHDXCSAC-UHFFFAOYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C23H42O4
Exact Mass 382.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsU6tOwGlRU
Name Pimelic acid, 4-(tert-butyl)cyclohexyl 4-methylpent-2-yl ester isomer 1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-17(2)16-18(3)26-21(24)10-8-7-9-11-22(25)27-20-14-12-19(13-15-20)23(4,5)6/h17-20H,7-16H2,1-6H3
InChIKey UMURWMLHDXCSAC-UHFFFAOYSA-N
Molecular Weight 382.585 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C(C)(C)C)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0006-8900000000-5a94426dcb8bfc1d38e6
Source of Spectrum TIPS-2022-704-0
Wiley ID 1822221