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(3S,4R)-3,4-Dihydroxy-4-(5-nitrothiophen-2-yl)butan-2-one
SpectraBase Compound ID Iqco0oYwpT4
InChI InChI=1S/C8H9NO5S/c1-4(10)7(11)8(12)5-2-3-6(15-5)9(13)14/h2-3,7-8,11-12H,1H3/t7-,8+/m1/s1
InChIKey YXPCCOKMJVSIIR-SFYZADRCSA-N
Mol Weight 231.22 g/mol
Molecular Formula C8H9NO5S
Exact Mass 231.020144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CIq0s4Nb7G
Name (3S,4R)-3,4-Dihydroxy-4-(5-nitrothiophen-2-yl)butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO5S
InChI InChI=1S/C8H9NO5S/c1-4(10)7(11)8(12)5-2-3-6(15-5)9(13)14/h2-3,7-8,11-12H,1H3/t7-,8+/m1/s1
InChIKey YXPCCOKMJVSIIR-SFYZADRCSA-N
Molecular Weight 231.222 g/mol
SMILES O[C@@]([C@](c1sc(N(=O)=O)cc1)(O)[H])(C(=O)C)[H]
SPLASH splash10-059f-7910000000-92f1207dcda2932a9021
Source of Spectrum F-68-4779-4g
Wiley ID 1708992