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3-[(Valinyl)methylene]-thiochroman-2,4-dione
SpectraBase Compound ID AKOh8xCiNb5
InChI InChI=1S/C15H15NO4S/c1-8(2)12(14(18)19)16-7-10-13(17)9-5-3-4-6-11(9)21-15(10)20/h3-8,12,16H,1-2H3,(H,18,19)/b10-7-
InChIKey MPKFCGGYVBDVLA-YFHOEESVSA-N
Mol Weight 305.35 g/mol
Molecular Formula C15H15NO4S
Exact Mass 305.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyK8f1Bd6AX
Name 3-[(Valinyl)methylene]-thiochroman-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO4S
InChI InChI=1S/C15H15NO4S/c1-8(2)12(14(18)19)16-7-10-13(17)9-5-3-4-6-11(9)21-15(10)20/h3-8,12,16H,1-2H3,(H,18,19)/b10-7-
InChIKey MPKFCGGYVBDVLA-YFHOEESVSA-N
Molecular Weight 305.348 g/mol
SMILES N(\C=C/1C(Sc2c(C1=O)cccc2)=O)C(C(=O)O)C(C)C
SPLASH splash10-0ik9-0191000000-2454c3244641d8d0a174
Source of Spectrum MZ-34-2058-15
Synonyms N-[(Z)-(2,4-dioxo-2H-1-benzothiopyran-3(4H)-ylidene)methyl]valine
Wiley ID 1582319