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Pimelic acid, 4-(tert-butyl)cyclohexyl hexyl ester isomer 1
SpectraBase Compound ID 3rmX1CBAgW8
InChI InChI=1S/C23H42O4/c1-5-6-7-11-18-26-21(24)12-9-8-10-13-22(25)27-20-16-14-19(15-17-20)23(2,3)4/h19-20H,5-18H2,1-4H3
InChIKey KORVVMHJBTUIEC-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 4SrNx8LshsZ
Name Pimelic acid, 4-(tert-butyl)cyclohexyl hexyl ester isomer 1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-5-6-7-11-18-26-21(24)12-9-8-10-13-22(25)27-20-16-14-19(15-17-20)23(2,3)4/h19-20H,5-18H2,1-4H3
InChIKey KORVVMHJBTUIEC-UHFFFAOYSA-N
Molecular Weight 382.585 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C(C)(C)C)=O)(OCCCCCC)=O
SPLASH splash10-054o-9530000000-d373c119eab64b667368
Source of Spectrum TIPS-2022-705-0
Wiley ID 1822222