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(3R,4R)-3-Hydroxy-5-nitro-4-(thien-2-ylphenyl)pentan-2-one
SpectraBase Compound ID F0H5m5etDuW
InChI InChI=1S/C15H15NO4S/c1-10(17)15(18)13(9-16(19)20)11-5-2-3-6-12(11)14-7-4-8-21-14/h2-8,13,15,18H,9H2,1H3/t13-,15-/m0/s1
InChIKey YOSZTKOAVGNVPT-ZFWWWQNUSA-N
Mol Weight 305.35 g/mol
Molecular Formula C15H15NO4S
Exact Mass 305.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QJGcNkfJcf
Name (3R,4R)-3-Hydroxy-5-nitro-4-(thien-2-ylphenyl)pentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO4S
InChI InChI=1S/C15H15NO4S/c1-10(17)15(18)13(9-16(19)20)11-5-2-3-6-12(11)14-7-4-8-21-14/h2-8,13,15,18H,9H2,1H3/t13-,15-/m0/s1
InChIKey YOSZTKOAVGNVPT-ZFWWWQNUSA-N
Literature Reference DOI 10.1002/adsc.200404037
Molecular Weight 305.348 g/mol
SMILES O[C@@](C(C)=O)([C@@](C[N+](=O)[O-])(c1ccccc1-c1sccc1)[H])[H]
SPLASH splash10-03di-0900000000-2117ecde8d8229f21876
Source of Spectrum ASC-346-1164-anti_10j
Synonyms (3R,4R)-3-hydroxy-5-nitro-4-(2-(thiophen-2-yl)phenyl)pentan-2-one
Wiley ID 1767677