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(3aR,4R,7S,7aS)-2-((E)-(4-hydroxy-3-iodo-5-methoxybenzylidene)amino)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

View entire compound with spectra: 1 NMR

(3aR,4R,7S,7aS)-2-((E)-(4-hydroxy-3-iodo-5-methoxybenzylidene)amino)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
SpectraBase Compound ID Ey9Vo5zXyfb
InChI InChI=1S/C19H17IN2O4/c1-26-13-7-9(6-12(20)16(13)23)8-21-22-17(24)14-10-2-3-11(15(14)18(22)25)19(10)4-5-19/h2-3,6-8,10-11,14-15,23H,4-5H2,1H3/b21-8+/t10-,11+,14-,15?/m0/s1
InChIKey KRLLFZQERKTYRK-HLVQXGQLSA-N
Mol Weight 464.26 g/mol
Molecular Formula C19H17IN2O4
Exact Mass 464.023302 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LNYmwoGozfr
Name (3aR,4R,7S,7aS)-2-((E)-(4-hydroxy-3-iodo-5-methoxybenzylidene)amino)-3a,4,7,7a-tetrahydro-1H-spiro[4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H17IN2O4/c1-26-13-7-9(6-12(20)16(13)23)8-21-22-17(24)14-10-2-3-11(15(14)18(22)25)19(10)4-5-19/h2-3,6-8,10-11,14-15,23H,4-5H2,1H3/b21-8+/t10-,11+,14-,15?/m0/s1
InChIKey KRLLFZQERKTYRK-HLVQXGQLSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_81
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: /VSVE061448; UBI_ID: UBI-000082
Temperature 308 °C