John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7XBweGOuoep SpectraBase Spectrum ID=8kbrXopGri6

(accessed ).
(2R*,3S*,8S*)-3-ETHYLINDOLINE;METHYL-3-(1-CYANO-2-METHOXY-2-OXOETHYL)-2,3-DIHYDRO-2-HYDROXY-1H-INDOLE-1-CARBOXYLATE
SpectraBase Compound ID 7XBweGOuoep
InChI InChI=1S/C16H18N2O5/c1-4-16(11(9-17)13(19)22-2)10-7-5-6-8-12(10)18(14(16)20)15(21)23-3/h5-8,11,14,20H,4H2,1-3H3/t11-,14-,16-/m1/s1
InChIKey RVUAEVVUFBZKIE-DJSGYFEHSA-N
Mol Weight 318.33 g/mol
Molecular Formula C16H18N2O5
Exact Mass 318.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kbrXopGri6
Name (2R*,3S*,8S*)-3-ETHYLINDOLINE;METHYL-3-(1-CYANO-2-METHOXY-2-OXOETHYL)-2,3-DIHYDRO-2-HYDROXY-1H-INDOLE-1-CARBOXYLATE
Compound Number 2D
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Formula C16H18N2O5
InChI InChI=1S/C16H18N2O5/c1-4-16(11(9-17)13(19)22-2)10-7-5-6-8-12(10)18(14(16)20)15(21)23-3/h5-8,11,14,20H,4H2,1-3H3/t11-,14-,16-/m1/s1
InChIKey RVUAEVVUFBZKIE-DJSGYFEHSA-N
Literature Reference Author M.S.MORALES-RIOS,C.GARCIA-MARTINEZ,M.A.BUCIO,P.JOSEPH-NATHAN
Literature Reference Citation MH.CHEM.,127,691(1996)
Literature Reference DOI 10.1007/BF00817260
Molecular Weight 318.329 g/mol
Solvent CDCl3
Source File Reference UWMZ89
SpectraBase Batch ID LxyorrV42Kw