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2H-1,3-Thiazine-6-carboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-4-oxo-2-[[3-(trifluoromethyl)phenyl]imino]-, methyl ester
SpectraBase Compound ID AHBI1hsYzUf
InChI InChI=1S/C21H15F3N2O5S/c1-29-19(28)17-9-18(27)26(10-12-5-6-15-16(7-12)31-11-30-15)20(32-17)25-14-4-2-3-13(8-14)21(22,23)24/h2-9H,10-11H2,1H3/b25-20-
InChIKey WCYYRSIYVPTZFJ-QQTULTPQSA-N
Mol Weight 464.42 g/mol
Molecular Formula C21H15F3N2O5S
Exact Mass 464.065377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8faLDjLWWIa
Name 2H-1,3-Thiazine-6-carboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-4-oxo-2-[[3-(trifluoromethyl)phenyl]imino]-, methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15F3N2O5S
InChI InChI=1S/C21H15F3N2O5S/c1-29-19(28)17-9-18(27)26(10-12-5-6-15-16(7-12)31-11-30-15)20(32-17)25-14-4-2-3-13(8-14)21(22,23)24/h2-9H,10-11H2,1H3/b25-20-
InChIKey WCYYRSIYVPTZFJ-QQTULTPQSA-N
Molecular Weight 464.415 g/mol
SMILES C(c1cc(\N=C/2SC(C(OC)=O)=CC(N2Cc2ccc3OCOc3c2)=O)ccc1)(F)(F)F
SPLASH splash10-000i-5911100000-805d805255e0e149293a
Source of Spectrum IY-1-4699-9
Wiley ID 1654982