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2H-1,3-Thiazine-6-carboxylic acid, 3-[2-(2-fluorophenyl)ethyl]-3,4-dihydro-4-oxo-2-[[3-(trifluoromethyl)phenyl]imino]-, methyl ester
SpectraBase Compound ID 5lbO9pULGbQ
InChI InChI=1S/C21H16F4N2O3S/c1-30-19(29)17-12-18(28)27(10-9-13-5-2-3-8-16(13)22)20(31-17)26-15-7-4-6-14(11-15)21(23,24)25/h2-8,11-12H,9-10H2,1H3/b26-20-
InChIKey DXTYCIJGVLZVNC-QOMWVZHYSA-N
Mol Weight 452.42 g/mol
Molecular Formula C21H16F4N2O3S
Exact Mass 452.081776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gmpp7MzS9H3
Name 2H-1,3-Thiazine-6-carboxylic acid, 3-[2-(2-fluorophenyl)ethyl]-3,4-dihydro-4-oxo-2-[[3-(trifluoromethyl)phenyl]imino]-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16F4N2O3S
InChI InChI=1S/C21H16F4N2O3S/c1-30-19(29)17-12-18(28)27(10-9-13-5-2-3-8-16(13)22)20(31-17)26-15-7-4-6-14(11-15)21(23,24)25/h2-8,11-12H,9-10H2,1H3/b26-20-
InChIKey DXTYCIJGVLZVNC-QOMWVZHYSA-N
Molecular Weight 452.424 g/mol
SMILES C(c1cc(\N=C/2SC(C(OC)=O)=CC(N2CCc2c(cccc2)F)=O)ccc1)(F)(F)F
SPLASH splash10-00di-3900000000-da1cf1dc6c71dbf4cdf8
Source of Spectrum IY-1-4699-1
Wiley ID 1654974