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2-[(Benzyloxycarbonyl)amino]-1-chloro-1-[(p-tolyl)thio]-3,3,3-trifluoropropene
SpectraBase Compound ID EUtNWbHUOT2
InChI InChI=1S/C18H15ClF3NO2S/c1-12-7-9-14(10-8-12)26-16(19)15(18(20,21)22)23-17(24)25-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,23,24)/b16-15+
InChIKey OGFJINMBLYWIIJ-FOCLMDBBSA-N
Mol Weight 401.83 g/mol
Molecular Formula C18H15ClF3NO2S
Exact Mass 401.046412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jnaauwdEZH
Name 2-[(Benzyloxycarbonyl)amino]-1-chloro-1-[(p-tolyl)thio]-3,3,3-trifluoropropene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClF3NO2S
InChI InChI=1S/C18H15ClF3NO2S/c1-12-7-9-14(10-8-12)26-16(19)15(18(20,21)22)23-17(24)25-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,23,24)/b16-15+
InChIKey OGFJINMBLYWIIJ-FOCLMDBBSA-N
Molecular Weight 401.831 g/mol
SMILES N(\C(=C\(Sc1ccc(cc1)C)Cl)C(F)(F)F)C(=O)OCc1ccccc1
SPLASH splash10-0udl-7001900000-054a7074095c6b10fdff
Source of Spectrum J-62-8039-5
Synonyms benzyl (Z)-2-chloro-2-[(4-methylphenyl)sulfanyl]-1-(trifluoromethyl)ethenylcarbamate
Wiley ID 1369899