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5-Methyl-4-phenyl-7-phenylimino-1,4-thiazepin-3-one

View entire compound with spectra: 1 MS (GC)

5-Methyl-4-phenyl-7-phenylimino-1,4-thiazepin-3-one
SpectraBase Compound ID LLXJMx9q7r4
InChI InChI=1S/C18H16N2OS/c1-14-12-17(19-15-8-4-2-5-9-15)22-13-18(21)20(14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/b19-17+
InChIKey ORTSOODREKTHGE-HTXNQAPBSA-N
Mol Weight 308.4 g/mol
Molecular Formula C18H16N2OS
Exact Mass 308.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63vfNm3mTl9
Name 5-Methyl-4-phenyl-7-phenylimino-1,4-thiazepin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2OS
InChI InChI=1S/C18H16N2OS/c1-14-12-17(19-15-8-4-2-5-9-15)22-13-18(21)20(14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/b19-17+
InChIKey ORTSOODREKTHGE-HTXNQAPBSA-N
Molecular Weight 308.399 g/mol
SMILES C1S\C(C=C(N(C1=O)c1ccccc1)C)=N/c1ccccc1
SPLASH splash10-004i-7900000000-d2691e0961391cef20e0
Source of Spectrum U-1996-214-3
Wiley ID 768004