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5-Benzyl-3-iodo-2-phenylbenzo[b][1,4]thiazepin-4(5H)-one
SpectraBase Compound ID H4eL3iI7LOi
InChI InChI=1S/C22H16INOS/c23-20-21(17-11-5-2-6-12-17)26-19-14-8-7-13-18(19)24(22(20)25)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKey NUZDNBQLIPJANM-UHFFFAOYSA-N
Mol Weight 469.34 g/mol
Molecular Formula C22H16INOS
Exact Mass 468.99973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLkKlbfpUHb
Name 5-Benzyl-3-iodo-2-phenylbenzo[b][1,4]thiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16INOS
InChI InChI=1S/C22H16INOS/c23-20-21(17-11-5-2-6-12-17)26-19-14-8-7-13-18(19)24(22(20)25)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKey NUZDNBQLIPJANM-UHFFFAOYSA-N
Molecular Weight 469.340 g/mol
SMILES C=1(C(N(c2ccccc2SC1c1ccccc1)Cc1ccccc1)=O)I
SPLASH splash10-0006-9101000000-53e4a1a55b9fb7a9328e
Source of Spectrum F4-41-3034-2d
Wiley ID 1672746