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3A,9B-DIHYDRO-4-[(2-HYDROXYETHYL)-OXY]-9H-4,9A-ETHANOTHIOPYRANO-[3,4-E]-ISOINDOLE-1,3(2H,4H)-TRIONE
SpectraBase Compound ID BHwNQsg5QvG
InChI InChI=1S/C21H21NO4S/c23-9-10-26-21-8-7-20(13-27-11-6-14(20)12-21)16-17(21)19(25)22(18(16)24)15-4-2-1-3-5-15/h1-6,11-12,16-17,23H,7-10,13H2
InChIKey RUEGTUFOLRMLLL-UHFFFAOYSA-N
Mol Weight 383.46 g/mol
Molecular Formula C21H21NO4S
Exact Mass 383.119129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cHroHB3Rrj
Name 3A,9B-DIHYDRO-4-[(2-HYDROXYETHYL)-OXY]-9H-4,9A-ETHANOTHIOPYRANO-[3,4-E]-ISOINDOLE-1,3(2H,4H)-TRIONE
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21NO4S
InChI InChI=1S/C21H21NO4S/c23-9-10-26-21-8-7-20(13-27-11-6-14(20)12-21)16-17(21)19(25)22(18(16)24)15-4-2-1-3-5-15/h1-6,11-12,16-17,23H,7-10,13H2
InChIKey RUEGTUFOLRMLLL-UHFFFAOYSA-N
Literature Reference Author D.E.WARD,Y.GAI
Literature Reference Citation CAN.J.CHEM.,75,681(1997)
Literature Reference DOI 10.1139/v97-082
Molecular Weight 383.462 g/mol
Solvent CDCl3
Source File Reference UWCP5007