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PBAIKSLVHOUKMC-SCZZXKLOSA-N

View entire compound with spectra: 1 NMR

PBAIKSLVHOUKMC-SCZZXKLOSA-N
SpectraBase Compound ID 1CzNVeemtjW
InChI InChI=1S/C12H13NO6S/c1-7-3-5-9(6-4-7)20(17,18)13-10(11(14)15)8(2)19-12(13)16/h3-6,8,10H,1-2H3,(H,14,15)/t8-,10+/m1/s1
InChIKey PBAIKSLVHOUKMC-SCZZXKLOSA-N
Mol Weight 299.3 g/mol
Molecular Formula C12H13NO6S
Exact Mass 299.046358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sgzoAaScmf
Name PBAIKSLVHOUKMC-SCZZXKLOSA-N
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO6S
InChI InChI=1S/C12H13NO6S/c1-7-3-5-9(6-4-7)20(17,18)13-10(11(14)15)8(2)19-12(13)16/h3-6,8,10H,1-2H3,(H,14,15)/t8-,10+/m1/s1
InChIKey PBAIKSLVHOUKMC-SCZZXKLOSA-N
Literature Reference Author M.AMADOR,X.ARIZA,J.GARCIA,S.SEVILLA
Literature Reference Citation ORG.LETTERS,4,4511(2002)
Literature Reference DOI 10.1021/ol0270428
Molecular Weight 299.298 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWLU35308