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METHYL-3-CYANO-3A-(2-METHYL-3-BUTEN-2-YL)-2-OXO-2,3,3A,8A-TETRAHYDRO-8H-FURO-[2,3-B]-INDOLE-8-CARBOXYLATE
SpectraBase Compound ID BoHs1QBEEPR
InChI InChI=1S/C18H18N2O4/c1-5-17(2,3)18-11-8-6-7-9-13(11)20(16(22)23-4)15(18)24-14(21)12(18)10-19/h5-9,12,15H,1H2,2-4H3/t12?,15-,18-/m0/s1
InChIKey HKBKYFLXPHNGFT-MDSZMTLUSA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5t8nfi69AfG
Name METHYL-3-CYANO-3A-(2-METHYL-3-BUTEN-2-YL)-2-OXO-2,3,3A,8A-TETRAHYDRO-8H-FURO-[2,3-B]-INDOLE-8-CARBOXYLATE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c1-5-17(2,3)18-11-8-6-7-9-13(11)20(16(22)23-4)15(18)24-14(21)12(18)10-19/h5-9,12,15H,1H2,2-4H3/t12?,15-,18-/m0/s1
InChIKey HKBKYFLXPHNGFT-MDSZMTLUSA-N
Literature Reference Author M.S.MORALES-RIOS,O.R.SUAREZ-CASTILLO,P.JOSEPH-NATHAN
Literature Reference Citation J.ORG.CHEM.,64,1086(1999)
Literature Reference DOI 10.1021/jo982090k
Molecular Weight 326.352 g/mol
Sample ID 39302
Solvent DMSO-D6