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3-Iodo-5-methyl-2-phenylbenzo[b][1,4]thiazepin-4(5H)-one
SpectraBase Compound ID 4ywB532Xaz5
InChI InChI=1S/C16H12INOS/c1-18-12-9-5-6-10-13(12)20-15(14(17)16(18)19)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey JEQRCCRYLGCQAW-UHFFFAOYSA-N
Mol Weight 393.24 g/mol
Molecular Formula C16H12INOS
Exact Mass 392.96843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kt7VIQL7MCw
Name 3-Iodo-5-methyl-2-phenylbenzo[b][1,4]thiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12INOS
InChI InChI=1S/C16H12INOS/c1-18-12-9-5-6-10-13(12)20-15(14(17)16(18)19)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey JEQRCCRYLGCQAW-UHFFFAOYSA-N
Molecular Weight 393.242 g/mol
SMILES C=1(C(N(c2ccccc2SC1c1ccccc1)C)=O)I
SPLASH splash10-014i-0091000000-0c469a1d20e65eb710b6
Source of Spectrum F4-41-3034-2a
Wiley ID 1672747