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5-Methyl-3-iodo-2-p-tolylbenzo[b][1,4]thiazepin-4(5H)-one
SpectraBase Compound ID 1eVrshGxgdJ
InChI InChI=1S/C17H14INOS/c1-11-7-9-12(10-8-11)16-15(18)17(20)19(2)13-5-3-4-6-14(13)21-16/h3-10H,1-2H3
InChIKey QYOHINBYKSACTQ-UHFFFAOYSA-N
Mol Weight 407.27 g/mol
Molecular Formula C17H14INOS
Exact Mass 406.98408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IyNS5bfoLS
Name 5-Methyl-3-iodo-2-p-tolylbenzo[b][1,4]thiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14INOS
InChI InChI=1S/C17H14INOS/c1-11-7-9-12(10-8-11)16-15(18)17(20)19(2)13-5-3-4-6-14(13)21-16/h3-10H,1-2H3
InChIKey QYOHINBYKSACTQ-UHFFFAOYSA-N
Molecular Weight 407.269 g/mol
SMILES C=1(C(N(c2ccccc2SC1c1ccc(cc1)C)C)=O)I
SPLASH splash10-001i-0090000000-826b2fa6ee2f4fc6fa9e
Source of Spectrum F4-41-3035-2f
Wiley ID 1672744