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2-(4-Acetylphenyl)-3-iodo-5-methylbenzo[b][1,4]thiazepin-4(5H)-one
SpectraBase Compound ID K4okizMZef0
InChI InChI=1S/C18H14INO2S/c1-11(21)12-7-9-13(10-8-12)17-16(19)18(22)20(2)14-5-3-4-6-15(14)23-17/h3-10H,1-2H3
InChIKey KFVVHKGNUQWPPX-UHFFFAOYSA-N
Mol Weight 435.28 g/mol
Molecular Formula C18H14INO2S
Exact Mass 434.978995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ouvySAWvI4
Name 2-(4-Acetylphenyl)-3-iodo-5-methylbenzo[b][1,4]thiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14INO2S
InChI InChI=1S/C18H14INO2S/c1-11(21)12-7-9-13(10-8-12)17-16(19)18(22)20(2)14-5-3-4-6-15(14)23-17/h3-10H,1-2H3
InChIKey KFVVHKGNUQWPPX-UHFFFAOYSA-N
Molecular Weight 435.279 g/mol
SMILES C=1(C(N(c2ccccc2SC1c1ccc(cc1)C(=O)C)C)=O)I
SPLASH splash10-066r-0095200000-4b277e4c49dab9e7f88c
Source of Spectrum F4-41-3035-2i
Synonyms 2-(4-Ethanoylphenyl)-3-iodanyl-5-methyl-1,5-benzothiazepin-4-one
Wiley ID 1672742