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2-(4-(tert-butyl)phenyl)-5-phenylisothiazol-3(2H)-one

View entire compound with spectra: 1 MS (GC)

2-(4-(tert-butyl)phenyl)-5-phenylisothiazol-3(2H)-one
SpectraBase Compound ID BL7iAAaw7mk
InChI InChI=1S/C19H19NOS/c1-19(2,3)15-9-11-16(12-10-15)20-18(21)13-17(22-20)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKey GIQCRNPDMOKABF-UHFFFAOYSA-N
Mol Weight 309.43 g/mol
Molecular Formula C19H19NOS
Exact Mass 309.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaCUlD85vqk
Name 2-(4-(tert-butyl)phenyl)-5-phenylisothiazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NOS
InChI InChI=1S/C19H19NOS/c1-19(2,3)15-9-11-16(12-10-15)20-18(21)13-17(22-20)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKey GIQCRNPDMOKABF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801579
Molecular Weight 309.427 g/mol
SMILES C1(N(SC(=C1)c1ccccc1)c1ccc(cc1)C(C)(C)C)=O
SPLASH splash10-0006-0193000000-a58eb4e73014f407aeb3
Source of Spectrum ASC-361-SM9-2m
Wiley ID 1813999