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3-[(Threoninyl)methylene]-thiochroman-2,4-dione
SpectraBase Compound ID 755NLfKZudE
InChI InChI=1S/C14H13NO5S/c1-7(16)11(13(18)19)15-6-9-12(17)8-4-2-3-5-10(8)21-14(9)20/h2-7,11,15-16H,1H3,(H,18,19)/b9-6-/t7-,11?/m1/s1
InChIKey UABRDJWZLATNRB-XJEXETKWSA-N
Mol Weight 307.32 g/mol
Molecular Formula C14H13NO5S
Exact Mass 307.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bz4wKTc9tjV
Name 3-[(Threoninyl)methylene]-thiochroman-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO5S
InChI InChI=1S/C14H13NO5S/c1-7(16)11(13(18)19)15-6-9-12(17)8-4-2-3-5-10(8)21-14(9)20/h2-7,11,15-16H,1H3,(H,18,19)/b9-6-/t7-,11?/m1/s1
InChIKey UABRDJWZLATNRB-XJEXETKWSA-N
Molecular Weight 307.320 g/mol
SMILES N(C([C@](O)(C)[H])C(=O)O)\C=C/1C(Sc2c(C1=O)cccc2)=O
SPLASH splash10-05n0-6910000000-05c02a644e4ade322177
Source of Spectrum MZ-34-2058-16
Synonyms (3R)-2-{[(Z)-(2,4-dioxo-2H-1-benzothiopyran-3(4H)-ylidene)methyl]amino}-3-hydroxybutanoic acid
Wiley ID 1582318