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3-Iodo-5-methyl-2-phenyl-7-(trifluoromethyl)benzo[b][1,4]thiazepin-4(5H)-one
SpectraBase Compound ID 77d8uRXARJG
InChI InChI=1S/C17H11F3INOS/c1-22-12-9-11(17(18,19)20)7-8-13(12)24-15(14(21)16(22)23)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey SAPSRXMWCKNXNQ-UHFFFAOYSA-N
Mol Weight 461.24 g/mol
Molecular Formula C17H11F3INOS
Exact Mass 460.955815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiBJUX0zJYL
Name 3-Iodo-5-methyl-2-phenyl-7-(trifluoromethyl)benzo[b][1,4]thiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11F3INOS
InChI InChI=1S/C17H11F3INOS/c1-22-12-9-11(17(18,19)20)7-8-13(12)24-15(14(21)16(22)23)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey SAPSRXMWCKNXNQ-UHFFFAOYSA-N
Molecular Weight 461.241 g/mol
SMILES C=1(C(N(c2cc(C(F)(F)F)ccc2SC1c1ccccc1)C)=O)I
SPLASH splash10-003r-0539000000-a18d7147bee29233c077
Source of Spectrum F4-41-3037-2q
Synonyms 3-iodanyl-5-methyl-2-phenyl-7-(trifluoromethyl)-1,5-benzothiazepin-4-one
Wiley ID 1672858