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5-Methyl-3-iodo-2-o-tolylbenzo[b][1,4]thiazepin-4(5H)-one
SpectraBase Compound ID 5RN1BgOD5CM
InChI InChI=1S/C17H14INOS/c1-11-7-3-4-8-12(11)16-15(18)17(20)19(2)13-9-5-6-10-14(13)21-16/h3-10H,1-2H3
InChIKey FWQZJBOWZKTHCL-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 GourCOD0H6F
Name 5-Methyl-3-iodo-2-o-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/c1-11-7-3-4-8-12(11)16-15(18)17(20)19(2)13-9-5-6-10-14(13)21-16/h3-10H,1-2H3
InChIKey FWQZJBOWZKTHCL-UHFFFAOYSA-N
Molecular Weight 407.269 g/mol
SMILES C1(=C(Sc2ccccc2N(C1=O)C)c1c(C)cccc1)I
SPLASH splash10-001i-0490200000-afa72623700d90abc26f
Source of Spectrum F4-41-3035-2g
Wiley ID 1672743