John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2F39HoUVpE5 SpectraBase Spectrum ID=1khtvsVDx9o

(accessed ).
7-(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)-8-OXO-3-(PHENYLTHIO)-1-AZABICYCLO-[4.2.0]-OCTANE-2-CARBOXYLIC-ACID-1,1-DIMETHYLESTER
SpectraBase Compound ID 2F39HoUVpE5
InChI InChI=1S/C26H26N2O5S/c1-26(2,3)33-25(32)21-19(34-15-9-5-4-6-10-15)14-13-18-20(24(31)27(18)21)28-22(29)16-11-7-8-12-17(16)23(28)30/h4-12,18-21H,13-14H2,1-3H3/t18-,19?,20+,21?/m1/s1
InChIKey XHGIEORAPFSJJS-OSIBBQKWSA-N
Mol Weight 478.56 g/mol
Molecular Formula C26H26N2O5S
Exact Mass 478.156244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1khtvsVDx9o
Name 7-(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)-8-OXO-3-(PHENYLTHIO)-1-AZABICYCLO-[4.2.0]-OCTANE-2-CARBOXYLIC-ACID-1,1-DIMETHYLESTER
Compound Number 8A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26N2O5S
InChI InChI=1S/C26H26N2O5S/c1-26(2,3)33-25(32)21-19(34-15-9-5-4-6-10-15)14-13-18-20(24(31)27(18)21)28-22(29)16-11-7-8-12-17(16)23(28)30/h4-12,18-21H,13-14H2,1-3H3/t18-,19?,20+,21?/m1/s1
InChIKey XHGIEORAPFSJJS-OSIBBQKWSA-N
Literature Reference Author R.S.MILLER,D.W.HOARD,R.A.JOHNSON,W.D.LUKE
Literature Reference Citation J.ORG.CHEM.,59,3289(1994)
Literature Reference DOI 10.1021/jo00091a014
Molecular Weight 478.563 g/mol
Solvent CDCl3
Source File Reference UWCP2589
SpectraBase Batch ID JwA7dEKgCGA