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3-(4'-(trifluoromethyl)phenyl)-4-cyano-4H-benzo[b][1,4]thiazine
SpectraBase Compound ID qojYggtpyN
InChI InChI=1S/C16H9F3N2S/c17-16(18,19)12-7-5-11(6-8-12)14-9-22-15-4-2-1-3-13(15)21(14)10-20/h1-9H
InChIKey IWNVJGDLTLNXLX-UHFFFAOYSA-N
Mol Weight 318.32 g/mol
Molecular Formula C16H9F3N2S
Exact Mass 318.043854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39IpAlklhwt
Name 3-(4'-(trifluoromethyl)phenyl)-4-cyano-4H-benzo[b][1,4]thiazine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9F3N2S
InChI InChI=1S/C16H9F3N2S/c17-16(18,19)12-7-5-11(6-8-12)14-9-22-15-4-2-1-3-13(15)21(14)10-20/h1-9H
InChIKey IWNVJGDLTLNXLX-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 318.317 g/mol
SMILES c1ccc2c(c1)SC=C(N2C#N)c1ccc(cc1)C(F)(F)F
SPLASH splash10-014i-0029000000-a22cabe67f2d57205074
Source of Spectrum CN106187943A
Wiley ID 1852870