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1-[(1S,2R,4R,5R)-4-methylol-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-quinone
SpectraBase Compound ID IMBOy1FNGBm
InChI InChI=1S/C9H10N2O4S/c12-3-4-6-7(16-6)8(15-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,10,13,14)/t4-,6-,7-,8-/m1/s1
InChIKey BXHWYDFKLAJAMX-XVFCMESISA-N
Mol Weight 242.25 g/mol
Molecular Formula C9H10N2O4S
Exact Mass 242.036128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uhm6hyX3q5
Name 1-[(1S,2R,4R,5R)-4-methylol-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10N2O4S
InChI InChI=1S/C9H10N2O4S/c12-3-4-6-7(16-6)8(15-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,10,13,14)/t4-,6-,7-,8-/m1/s1
InChIKey BXHWYDFKLAJAMX-XVFCMESISA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 242.249 g/mol
Source File Reference MHKO11489