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2-METHYLPROPYL-1-(3-CHLOROPROPYL)-3-(2-METHYLPROPOXY)-5-OXO-CYCLOHEX-3-ENE-1-CARBOXYLATE
SpectraBase Compound ID 5x3mv7B5ASz
InChI InChI=1S/C18H29ClO4/c1-13(2)11-22-16-8-15(20)9-18(10-16,6-5-7-19)17(21)23-12-14(3)4/h8,13-14H,5-7,9-12H2,1-4H3
InChIKey NXFVITFNJGIDAP-UHFFFAOYSA-N
Mol Weight 344.88 g/mol
Molecular Formula C18H29ClO4
Exact Mass 344.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9S8rnhEPrr9
Name 2-METHYLPROPYL-1-(3-CHLOROPROPYL)-3-(2-METHYLPROPOXY)-5-OXO-CYCLOHEX-3-ENE-1-CARBOXYLATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H29ClO4
InChI InChI=1S/C18H29ClO4/c1-13(2)11-22-16-8-15(20)9-18(10-16,6-5-7-19)17(21)23-12-14(3)4/h8,13-14H,5-7,9-12H2,1-4H3
InChIKey NXFVITFNJGIDAP-UHFFFAOYSA-N
Literature Reference Author L.MOKBEL,G.P.SAVAGE,G.W.SIMPSON
Literature Reference Citation AUSTR.J.CHEM.,47,1727(1994)
Literature Reference DOI 10.1071/ch9941727
Molecular Weight 344.879 g/mol
Solvent CDCl3
Source File Reference UWVP5511