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(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-hept-4-en-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-hept-4-en-1-one
SpectraBase Compound ID 1AG3JtTFmTi
InChI InChI=1S/C20H19NOS2/c1-2-3-5-14-18(19(22)15-10-6-4-7-11-15)24-20-21-16-12-8-9-13-17(16)23-20/h3-13,18H,2,14H2,1H3/b5-3+
InChIKey IDLMDJDDEBOXLX-HWKANZROSA-N
Mol Weight 353.5 g/mol
Molecular Formula C20H19NOS2
Exact Mass 353.090807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmZQsUoRq4W
Name (E)-2-(1,3-Benzothiazol-2-ylsulfanyl)-1-phenyl-hept-4-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.090806583 u
Formula C20H19NOS2
InChI InChI=1S/C20H19NOS2/c1-2-3-5-14-18(19(22)15-10-6-4-7-11-15)24-20-21-16-12-8-9-13-17(16)23-20/h3-13,18H,2,14H2,1H3/b5-3+
InChIKey IDLMDJDDEBOXLX-HWKANZROSA-N
Molecular Weight 353.498 g/mol
SMILES C1(=NC2=CC=CC=C2S1)SC(C(=O)C=1C=CC=CC1)C\C=C\CC