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N-[(E)-[phenyl-(3-phenyl-5-isothiazolyl)methylidene]amino]carbamic acid tert-butyl ester
SpectraBase Compound ID BDiqAXt9CET
InChI InChI=1S/C21H21N3O2S/c1-21(2,3)26-20(25)23-22-19(16-12-8-5-9-13-16)18-14-17(24-27-18)15-10-6-4-7-11-15/h4-14H,1-3H3,(H,23,25)/b22-19+
InChIKey FGFMZEWCVIUXQM-ZBJSNUHESA-N
Mol Weight 379.48 g/mol
Molecular Formula C21H21N3O2S
Exact Mass 379.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kdy490ceizz
Name N-[(E)-[phenyl-(3-phenyl-5-isothiazolyl)methylidene]amino]carbamic acid tert-butyl ester
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Formula C21H21N3O2S
InChI InChI=1S/C21H21N3O2S/c1-21(2,3)26-20(25)23-22-19(16-12-8-5-9-13-16)18-14-17(24-27-18)15-10-6-4-7-11-15/h4-14H,1-3H3,(H,23,25)/b22-19+
InChIKey FGFMZEWCVIUXQM-ZBJSNUHESA-N
Molecular Weight 379.478 g/mol
SMILES N(C(OC(C)(C)C)=O)\N=C\(c1cc(-c2ccccc2)ns1)c1ccccc1
SPLASH splash10-0kbf-9610000000-085960507446d3c1c207
Source of Spectrum KC-0-3194-9
Synonyms N-[(E)-[phenyl-(3-phenylisothiazol-5-yl)methylene]amino]carbamic acid tert-butyl ester tert-Butyl N-[(E)-[phenyl-(3-phenyl-1,2-thiazol-5-yl)methylidene]amino]carbamate tert-Butyl N-[(E)-[phenyl-(3-phenylisothiazol-5-yl)methylene]amino]carbamate
Wiley ID 823622