John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1sgDQQHvB1n SpectraBase Spectrum ID=1jTY8HatRXL

(accessed ).
(3R,4R,5R)-4-(benzylthio)-3-bromo-5-methoxy-2-pyrrolidone
SpectraBase Compound ID 1sgDQQHvB1n
InChI InChI=1S/C12H14BrNO2S/c1-16-12-10(9(13)11(15)14-12)17-7-8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3,(H,14,15)/t9-,10-,12+/m0/s1
InChIKey CRVMAKXPXQYIHH-JBLDHEPKSA-N
Mol Weight 316.21 g/mol
Molecular Formula C12H14BrNO2S
Exact Mass 314.992862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jTY8HatRXL
Name (3R,4R,5R)-4-(benzylthio)-3-bromo-5-methoxy-2-pyrrolidone
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14BrNO2S
InChI InChI=1S/C12H14BrNO2S/c1-16-12-10(9(13)11(15)14-12)17-7-8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3,(H,14,15)/t9-,10-,12+/m0/s1
InChIKey CRVMAKXPXQYIHH-JBLDHEPKSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 316.213 g/mol
Source File Reference MHKO26484
SpectraBase Batch ID Io9XHuFxxqk