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METHYL-6-CHLORO-UNDECACYCLO-[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]-ICOSANECARBOXYLATE

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METHYL-6-CHLORO-UNDECACYCLO-[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]-ICOSANECARBOXYLATE
SpectraBase Compound ID KQnbNtMREnG
InChI InChI=1S/C22H21ClO2/c1-25-20(24)21-14-4-2-3-5(14)9-11-7(3)17-6(2)10-8(4)15(21)12-13(16(9)21)19(11)22(17,23)18(10)12/h2-19H,1H3
InChIKey DZYIIJGCDQJLJD-UHFFFAOYSA-N
Mol Weight 352.86 g/mol
Molecular Formula C22H21ClO2
Exact Mass 352.123008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CI8o5QDmwTF
Name METHYL-6-CHLORO-UNDECACYCLO-[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]-ICOSANECARBOXYLATE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21ClO2
InChI InChI=1S/C22H21ClO2/c1-25-20(24)21-14-4-2-3-5(14)9-11-7(3)17-6(2)10-8(4)15(21)12-13(16(9)21)19(11)22(17,23)18(10)12/h2-19H,1H3
InChIKey DZYIIJGCDQJLJD-UHFFFAOYSA-N
Literature Reference Author K.SCHEUMANN,E.SACKERS,M.BERTAU,J.LEONHARDT,D.HUNKLER,H.FRITZ ,J.WOERTH,H.PRINZBAC
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1195(1998)
Literature Reference DOI 10.1039/a709107i
Molecular Weight 352.861 g/mol
Solvent CDCl3