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ISOCYANO-ACETIC-ACID-2,4-DIMETHYL-HEPTA-2,6-DIENYLESTER
SpectraBase Compound ID LCqaBSHxnci
InChI InChI=1S/2C12H18NO2/c2*1-5-6-10(2)7-11(3)9-15-12(14)8-13-4/h2*4-5,7,10H,1,6,8-9H2,2-3H3/q2*+1/b2*11-7+
InChIKey CDDUXFNOSNKZSE-LEEBXWJNSA-N
Mol Weight 416.56 g/mol
Molecular Formula C24H36N2O4
Exact Mass 416.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChesdznWpNq
Name ISOCYANO-ACETIC-ACID-2,4-DIMETHYL-HEPTA-2,6-DIENYLESTER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H36N2O4
InChI InChI=1S/2C12H18NO2/c2*1-5-6-10(2)7-11(3)9-15-12(14)8-13-4/h2*4-5,7,10H,1,6,8-9H2,2-3H3/q2*+1/b2*11-7+
InChIKey CDDUXFNOSNKZSE-LEEBXWJNSA-N
Literature Reference Author B.BWCK,G.LARBIG,B.MEJAT,M.MAGNIN-LACHAUX,A.PICARD,E.HERDTWEC K,A.DOUMLING
Literature Reference Citation ORG.LETTERS,5,1047(2003)
Literature Reference DOI 10.1021/ol034077e
Molecular Weight 416.561 g/mol
Sample ID 47423
Solvent CDCl3