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N-[(2S,3'R,3aR,4R)-1,2'-diketo-2-methyl-spiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-tetrahydrofuran]-3'-yl]carbamic acid 2,2,2-trichloroethyl ester
SpectraBase Compound ID JRmZ3oombYr
InChI InChI=1S/C17H16Cl3N3O5/c1-8-12(24)23-11-5-3-2-4-9(11)16(14(23)21-8)6-10(13(25)28-16)22-15(26)27-7-17(18,19)20/h2-5,8,10,14,21H,6-7H2,1H3,(H,22,26)/t8-,10+,14+,16+/m0/s1
InChIKey LQXXWHOWSCFNMT-KKZDIURRSA-N
Mol Weight 448.69 g/mol
Molecular Formula C17H16Cl3N3O5
Exact Mass 447.015554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kzl5cTqoe0t
Name N-[(2S,3'R,3aR,4R)-1,2'-diketo-2-methyl-spiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-tetrahydrofuran]-3'-yl]carbamic acid 2,2,2-trichloroethyl ester
Compound Number 42A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16Cl3N3O5
InChI InChI=1S/C17H16Cl3N3O5/c1-8-12(24)23-11-5-3-2-4-9(11)16(14(23)21-8)6-10(13(25)28-16)22-15(26)27-7-17(18,19)20/h2-5,8,10,14,21H,6-7H2,1H3,(H,22,26)/t8-,10+,14+,16+/m0/s1
InChIKey LQXXWHOWSCFNMT-KKZDIURRSA-N
Literature Reference Author B.B.SNIDER,H.ZENG
Literature Reference Citation J.ORG.CHEM.,68,545(2003)
Literature Reference DOI 10.1021/jo0264980
Molecular Weight 448.690 g/mol
Solvent CDCl3
Source File Reference UWVN25410