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2-[3-(2-Chlorobenzyl)-4-oxo-2-[(phenylcarbonyl)imino]-1,3-thiazinan-5-yl]-acetic Acid
SpectraBase Compound ID 2nc9g69kt3j
InChI InChI=1S/C20H17ClN2O4S/c21-16-9-5-4-6-13(16)10-11-23-18(25)15(19(26)27)12-28-20(23)22-17(24)14-7-2-1-3-8-14/h1-9,15H,10-12H2,(H,26,27)/b22-20-
InChIKey BXIVTAQNYMBTOK-XDOYNYLZSA-N
Mol Weight 416.88 g/mol
Molecular Formula C20H17ClN2O4S
Exact Mass 416.059756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HpaRIA4Sca
Name 2-[3-(2-Chlorobenzyl)-4-oxo-2-[(phenylcarbonyl)imino]-1,3-thiazinan-5-yl]-acetic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClN2O4S
InChI InChI=1S/C20H17ClN2O4S/c21-16-9-5-4-6-13(16)10-11-23-18(25)15(19(26)27)12-28-20(23)22-17(24)14-7-2-1-3-8-14/h1-9,15H,10-12H2,(H,26,27)/b22-20-
InChIKey BXIVTAQNYMBTOK-XDOYNYLZSA-N
Molecular Weight 416.879 g/mol
SMILES OC(C1C(N(\C(=N\C(=O)c2ccccc2)SC1)CCc1c(Cl)cccc1)=O)=O
SPLASH splash10-00bi-6900000000-ee61b5f0ade1652f37aa
Source of Spectrum H-92-1906-4i
Wiley ID 1693677