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4-Methyl-2-[(Z)-2-phenyl-4-(phenylthio)but-2-enyl]-1,4-benzothiazin-3-one
SpectraBase Compound ID 6QygzPxfOTx
InChI InChI=1S/C25H23NOS2/c1-26-22-14-8-9-15-23(22)29-24(25(26)27)18-20(19-10-4-2-5-11-19)16-17-28-21-12-6-3-7-13-21/h2-16,24H,17-18H2,1H3/b20-16-
InChIKey PYPRGJPGTFCQFP-SILNSSARSA-N
Mol Weight 417.59 g/mol
Molecular Formula C25H23NOS2
Exact Mass 417.122107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFe7rRS32eC
Name 4-Methyl-2-[(Z)-2-phenyl-4-(phenylthio)but-2-enyl]-1,4-benzothiazin-3-one
Alternate Name(s) 4-Methyl-2-[(Z)-2-phenyl-4-phenylsulfanyl-but-2-enyl]-1,4-benzothiazin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23NOS2
InChI InChI=1S/C25H23NOS2/c1-26-22-14-8-9-15-23(22)29-24(25(26)27)18-20(19-10-4-2-5-11-19)16-17-28-21-12-6-3-7-13-21/h2-16,24H,17-18H2,1H3/b20-16-
InChIKey PYPRGJPGTFCQFP-SILNSSARSA-N
Molecular Weight 417.585 g/mol
SMILES C1(Sc2c(N(C1=O)C)cccc2)C\C(=C\CSc1ccccc1)c1ccccc1
SPLASH splash10-056r-0906000000-baa955b33105f68aae34
Source of Spectrum E1-46-152-3
Wiley ID 1554179