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3-METHYL-7-ISOPROPYL-5-[2-(2,6-DIMETHYL-2-CARBOXYCYCLOHEXYL)ETHYL]-1,4-NAPHTHOQUINONE
SpectraBase Compound ID F9knCeUvcrE
InChI InChI=1S/C27H34O4/c1-7-26(5)11-8-12-27(6,25(30)31)22(26)10-9-18-14-19(16(2)3)15-20-21(28)13-17(4)24(29)23(18)20/h7,13-16,22H,1,8-12H2,2-6H3,(H,30,31)/t22-,26+,27-/m0/s1
InChIKey YMLFPWMIOBSJOX-FDJWOJMMSA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25Sq42Yp3Zp
Name 3-METHYL-7-ISOPROPYL-5-[2-(2,6-DIMETHYL-2-CARBOXYCYCLOHEXYL)ETHYL]-1,4-NAPHTHOQUINONE
Comments I.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-7-26(5)11-8-12-27(6,25(30)31)22(26)10-9-18-14-19(16(2)3)15-20-21(28)13-17(4)24(29)23(18)20/h7,13-16,22H,1,8-12H2,2-6H3,(H,30,31)/t22-,26+,27-/m0/s1
InChIKey YMLFPWMIOBSJOX-FDJWOJMMSA-N
Instrument Name Bruker AM-300
Literature Reference G.A.TOLSTIKOV, E.E.SHUL'TS, T.SH.MUKHAMETZYANOVA, I.P.BAIKOVA, L.V.SPIRIKHIN(1993) Zhurn.Org.Khim.(Russ. Lang.): v.29, N4, 698-716.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d