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3-[(Tyrosinyl)methylene]-thiochroman-2,4-dione
SpectraBase Compound ID HeNFVfdScgA
InChI InChI=1S/C19H15NO5S/c20-15(9-11-5-7-12(21)8-6-11)18(23)25-10-14-17(22)13-3-1-2-4-16(13)26-19(14)24/h1-8,10,15,21H,9,20H2/b14-10-/t15-/m0/s1
InChIKey QDOSGOTYXJSNEU-LTBFUDJGSA-N
Mol Weight 369.39 g/mol
Molecular Formula C19H15NO5S
Exact Mass 369.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWzmKrPlTWI
Name 3-[(Tyrosinyl)methylene]-thiochroman-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NO5S
InChI InChI=1S/C19H15NO5S/c20-15(9-11-5-7-12(21)8-6-11)18(23)25-10-14-17(22)13-3-1-2-4-16(13)26-19(14)24/h1-8,10,15,21H,9,20H2/b14-10-/t15-/m0/s1
InChIKey QDOSGOTYXJSNEU-LTBFUDJGSA-N
Molecular Weight 369.391 g/mol
SMILES Oc1ccc(C[C@@](C(O\C=C/2C(Sc3c(C2=O)cccc3)=O)=O)(N)[H])cc1
SPLASH splash10-0a4i-1966000000-7c5dd36e2966e7dbf74e
Source of Spectrum MZ-34-2059-18
Synonyms (Z)-(2,4-dioxo-2H-1-benzothiopyran-3(4H)-ylidene)methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
Wiley ID 1582382