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3-[(N-Ethanolamino)methylene]-thiochroman-2,4-dione
SpectraBase Compound ID EdaiC8cOL5J
InChI InChI=1S/C12H11NO3S/c1-7(14)13-6-9-11(15)8-4-2-3-5-10(8)17-12(9)16/h2-7,13-14H,1H3/b9-6-
InChIKey NIZZEVHYNBMZOT-TWGQIWQCSA-N
Mol Weight 249.28 g/mol
Molecular Formula C12H11NO3S
Exact Mass 249.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjWqruaOlqL
Name 3-[(N-Ethanolamino)methylene]-thiochroman-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3S
InChI InChI=1S/C12H11NO3S/c1-7(14)13-6-9-11(15)8-4-2-3-5-10(8)17-12(9)16/h2-7,13-14H,1H3/b9-6-
InChIKey NIZZEVHYNBMZOT-TWGQIWQCSA-N
Molecular Weight 249.284 g/mol
SMILES N(\C=C/1C(Sc2c(C1=O)cccc2)=O)C(O)C
SPLASH splash10-0002-0390000000-724fb514f13fc36c593f
Source of Spectrum MZ-34-2057-3
Synonyms (3Z)-3-{[(1-hydroxyethyl)amino]methylene}-2H-1-benzothiopyran-2,4(3H)-dione
Wiley ID 1582331