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2,5-BIS(2,3,4,5,6-PENTAMETHYLBENZYL)CYCLOPENTANONE

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2,5-BIS(2,3,4,5,6-PENTAMETHYLBENZYL)CYCLOPENTANONE
SpectraBase Compound ID 1Jva38xI0cq
InChI InChI=1S/C29H40O/c1-15-17(3)21(7)27(22(8)18(15)4)13-25-11-12-26(29(25)30)14-28-23(9)19(5)16(2)20(6)24(28)10/h25-26H,11-14H2,1-10H3
InChIKey KUQNPHCJNMOZNG-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C29H40O
Exact Mass 404.307916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oZuMIrQXsh
Name cis-2,5-Bis(2,3,4,5,6-pentamethyl-benzyl)-cyclopentanone
Comments MIXTURE WITH 65% TRANS-ISOMER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C29H40O
InChI InChI=1S/C29H40O/c1-15-17(3)21(7)27(22(8)18(15)4)13-25-11-12-26(29(25)30)14-28-23(9)19(5)16(2)20(6)24(28)10/h25-26H,11-14H2,1-10H3
InChIKey KUQNPHCJNMOZNG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3