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(Z)-2,3-DI-ISOCYANO-1-(4-METHOXYPHENYL)]-BUTA-1,3-DIENE
SpectraBase Compound ID BSzU4uzBTNB
InChI InChI=1S/C13H12N2O/c1-10(14-2)13(15-3)9-11-5-7-12(16-4)8-6-11/h2-3,5-9H,1H2,4H3/q+2/b13-9-
InChIKey RZCDNFKKKREGKU-LCYFTJDESA-N
Mol Weight 212.25 g/mol
Molecular Formula C13H12N2O
Exact Mass 212.094963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgX2BYYgHao
Name (Z)-2,3-DI-ISOCYANO-1-(4-METHOXYPHENYL)]-BUTA-1,3-DIENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N2O
InChI InChI=1S/C13H12N2O/c1-10(14-2)13(15-3)9-11-5-7-12(16-4)8-6-11/h2-3,5-9H,1H2,4H3/q+2/b13-9-
InChIKey RZCDNFKKKREGKU-LCYFTJDESA-N
Literature Reference Author J.ITOH,Y.TAKEUCHI,S.GOMI,S.INOUYE,T.MIKAWA,N.YOSHIKAWA,H.OHK ISHI
Literature Reference Citation J.ANTIBIOTICS,43,456(1990)
Literature Reference DOI 10.7164/antibiotics.43.456
Molecular Weight 212.251 g/mol
Sample ID 65863
Solvent CDCl3