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2-(4-nitrophenyl)-3-iodo-5-methylbenzo[b][1,4]thiazepin-4(5H)-one
SpectraBase Compound ID LRVRSwKgPs8
InChI InChI=1S/C16H11IN2O3S/c1-18-12-4-2-3-5-13(12)23-15(14(17)16(18)20)10-6-8-11(9-7-10)19(21)22/h2-9H,1H3
InChIKey RGIUFRXCWXQXBY-UHFFFAOYSA-N
Mol Weight 438.24 g/mol
Molecular Formula C16H11IN2O3S
Exact Mass 437.953508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHACjDBISii
Name 2-(4-nitrophenyl)-3-iodo-5-methylbenzo[b][1,4]thiazepin-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11IN2O3S
InChI InChI=1S/C16H11IN2O3S/c1-18-12-4-2-3-5-13(12)23-15(14(17)16(18)20)10-6-8-11(9-7-10)19(21)22/h2-9H,1H3
InChIKey RGIUFRXCWXQXBY-UHFFFAOYSA-N
Molecular Weight 438.239 g/mol
SMILES C=1(C(N(c2ccccc2SC1c1ccc(N(=O)=O)cc1)C)=O)I
SPLASH splash10-000i-0045900000-406defa23d0e9a9a9283
Source of Spectrum F4-41-3035-2j
Wiley ID 1672741