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PKYIUEQZLMRUFO-UHFFFAOYSA-N
SpectraBase Compound ID AgoIWvjejAx
InChI InChI=1S/C12H15NO3/c1-2-8(7-14)13-11(15)9-5-3-4-6-10(9)12(13)16/h3-6,8,11,14-15H,2,7H2,1H3
InChIKey PKYIUEQZLMRUFO-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xRr0DsP2F9
Name (1'S,3R/1'S,3S)-2,3-DIHYDRO-2-(2'-ETHYL-1'-HYDROXYETHYL)-3-HYDROXY-1H-ISOINDOL-1-ONE;MINOR-PRODUCT
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-2-8(7-14)13-11(15)9-5-3-4-6-10(9)12(13)16/h3-6,8,11,14-15H,2,7H2,1H3
InChIKey PKYIUEQZLMRUFO-UHFFFAOYSA-N
Literature Reference Author J.SIKORAIOVA,A.CHIBAB-EDDINE,S.MARCHALIN,A.DAICH
Literature Reference Citation J.HETCYCL.CHEM.,39,383(2002)
Literature Reference DOI 10.1002/jhet.5570390223
Molecular Weight 221.256 g/mol
Solvent CDCl3
Source File Reference UWSI8668