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4H-1,4-Benzothiazin-3(2H)-one, 4-(4-fluorobenzyl)-6-trifluoromethyl-
SpectraBase Compound ID Jp0stq7x7Gg
InChI InChI=1S/C16H11F4NOS/c17-12-4-1-10(2-5-12)8-21-13-7-11(16(18,19)20)3-6-14(13)23-9-15(21)22/h1-7H,8-9H2
InChIKey XMBNTKZRJGDMDM-UHFFFAOYSA-N
Mol Weight 341.32 g/mol
Molecular Formula C16H11F4NOS
Exact Mass 341.049748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgUmFe5Sj8
Name 4H-1,4-Benzothiazin-3(2H)-one, 4-(4-fluorobenzyl)-6-trifluoromethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F4NOS
InChI InChI=1S/C16H11F4NOS/c17-12-4-1-10(2-5-12)8-21-13-7-11(16(18,19)20)3-6-14(13)23-9-15(21)22/h1-7H,8-9H2
InChIKey XMBNTKZRJGDMDM-UHFFFAOYSA-N
Molecular Weight 341.324 g/mol
SMILES c1cc(CN2c3cc(C(F)(F)F)ccc3SCC2=O)ccc1F
SPLASH splash10-0a4i-3901000000-d62d66531b878fd30732
Source of Spectrum AD-0-2532-0
Synonyms 4-(4-fluorobenzyl)-6-(trifluoromethyl)-1,4-benzothiazin-3-one 4-(4-Fluorobenzyl)-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one 4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
Wiley ID 1429081