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2-(Benzothiazol-2-ylsulfanyl)-N-(4-fluoro-3-nitro-phenyl)-acetamide
SpectraBase Compound ID 8O8wOtG9948
InChI InChI=1S/C15H10FN3O3S2/c16-10-6-5-9(7-12(10)19(21)22)17-14(20)8-23-15-18-11-3-1-2-4-13(11)24-15/h1-7H,8H2,(H,17,20)
InChIKey GQORCTHQZBLDAT-UHFFFAOYSA-N
Mol Weight 363.38 g/mol
Molecular Formula C15H10FN3O3S2
Exact Mass 363.014762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2TRVojVUX5
Name 2-(Benzothiazol-2-ylsulfanyl)-N-(4-fluoro-3-nitro-phenyl)-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.014761702 u
Formula C15H10FN3O3S2
InChI InChI=1S/C15H10FN3O3S2/c16-10-6-5-9(7-12(10)19(21)22)17-14(20)8-23-15-18-11-3-1-2-4-13(11)24-15/h1-7H,8H2,(H,17,20)
InChIKey GQORCTHQZBLDAT-UHFFFAOYSA-N
Molecular Weight 363.381 g/mol
SMILES C1=CC=2N=C(SCC(NC=3C=C(N(=O)=O)C(=CC3)F)=O)SC2C=C1