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3-{[(N-(N'-Ethylaminocarbonyl)amino]methylene]-thiochroman-2,4-dione
SpectraBase Compound ID JqEsZx3Ycm6
InChI InChI=1S/C13H12N2O3S/c1-2-14-13(18)15-7-9-11(16)8-5-3-4-6-10(8)19-12(9)17/h3-7H,2H2,1H3,(H2,14,15,18)/b9-7-
InChIKey KXMKNUJXMYEVHF-CLFYSBASSA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H12N2O3S
Exact Mass 276.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9k6MrBkZFZG
Name 3-{[(N-(N'-Ethylaminocarbonyl)amino]methylene]-thiochroman-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3S
InChI InChI=1S/C13H12N2O3S/c1-2-14-13(18)15-7-9-11(16)8-5-3-4-6-10(8)19-12(9)17/h3-7H,2H2,1H3,(H2,14,15,18)/b9-7-
InChIKey KXMKNUJXMYEVHF-CLFYSBASSA-N
Molecular Weight 276.310 g/mol
SMILES N(C(=O)NCC)\C=C/1C(Sc2c(C1=O)cccc2)=O
SPLASH splash10-004i-0920000000-69ddc1d40b462a8be3c0
Source of Spectrum MZ-34-2059-20
Wiley ID 1582380