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MK-4588;(1R*,6S*,7S*)-(7Z)-[1-ISOCYANO-2-(4-METHOXYPHENYL)]-ETHENYL-1-HYDROXY-7-ISOCYANOBICYCLO-[4.2.0]-OCT-2-EN-4-ONE
SpectraBase Compound ID Gy5zrtSWnO7
InChI InChI=1S/C19H18N2O3/c1-20-17(10-13-4-6-15(24-3)7-5-13)19(21-2)12-18(23)9-8-14(22)11-16(18)19/h1-2,4-10,16,23H,11-12H2,3H3/q+2/b17-10-/t16-,18+,19+/m1/s1
InChIKey MNNLWBGLODCFOE-MXNNCGLHSA-N
Mol Weight 322.36 g/mol
Molecular Formula C19H18N2O3
Exact Mass 322.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jy7liFy0X6
Name MK-4588;(1R*,6S*,7S*)-(7Z)-[1-ISOCYANO-2-(4-METHOXYPHENYL)]-ETHENYL-1-HYDROXY-7-ISOCYANOBICYCLO-[4.2.0]-OCT-2-EN-4-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18N2O3
InChI InChI=1S/C19H18N2O3/c1-20-17(10-13-4-6-15(24-3)7-5-13)19(21-2)12-18(23)9-8-14(22)11-16(18)19/h1-2,4-10,16,23H,11-12H2,3H3/q+2/b17-10-/t16-,18+,19+/m1/s1
InChIKey MNNLWBGLODCFOE-MXNNCGLHSA-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 322.364 g/mol
Sample ID 65862
Solvent CDCl3