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3-[(N-Butylamino)methylene]-thiochroman-2,4-dione
SpectraBase Compound ID ABwo6cGY8Ql
InChI InChI=1S/C14H15NO2S/c1-2-3-8-15-9-11-13(16)10-6-4-5-7-12(10)18-14(11)17/h4-7,9,15H,2-3,8H2,1H3/b11-9-
InChIKey IDSIPNLARQEIAW-LUAWRHEFSA-N
Mol Weight 261.34 g/mol
Molecular Formula C14H15NO2S
Exact Mass 261.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AfShhcZimm
Name 3-[(N-Butylamino)methylene]-thiochroman-2,4-dione
Alternate Name(s) (3Z)-3-[(butylamino)methylene]-2H-1-benzothiopyran-2,4(3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO2S
InChI InChI=1S/C14H15NO2S/c1-2-3-8-15-9-11-13(16)10-6-4-5-7-12(10)18-14(11)17/h4-7,9,15H,2-3,8H2,1H3/b11-9-
InChIKey IDSIPNLARQEIAW-LUAWRHEFSA-N
Molecular Weight 261.339 g/mol
SMILES N(\C=C/1C(Sc2c(C1=O)cccc2)=O)CCCC
SPLASH splash10-03di-0390000000-f24e245e0c608b1a8029
Source of Spectrum MZ-34-2057-2
Wiley ID 1582332