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4-[(3-chloro-2-hydroxypropyl)thio]-N-[2-(2-pyridyl)ethyl]naphthalimide
SpectraBase Compound ID 80GnWWVFsu
InChI InChI=1S/C22H19ClN2O3S/c23-12-15(26)13-29-19-8-7-18-20-16(19)5-3-6-17(20)21(27)25(22(18)28)11-9-14-4-1-2-10-24-14/h1-8,10,15,26H,9,11-13H2
InChIKey RUUUIEPCOJRBBY-UHFFFAOYSA-N
Mol Weight 426.92 g/mol
Molecular Formula C22H19ClN2O3S
Exact Mass 426.080491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FnBVvu4wET
Name 4-[(3-Chloro-2-hydroxypropyl)thio]-N-[2-(2-pyridyl)ethyl]naphthalimide
Comments Computed using HOSE algorithm
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Exact Mass 426.080491351 u
Formula C22H19ClN2O3S
InChI InChI=1S/C22H19ClN2O3S/c23-12-15(26)13-29-19-8-7-18-20-16(19)5-3-6-17(20)21(27)25(22(18)28)11-9-14-4-1-2-10-24-14/h1-8,10,15,26H,9,11-13H2
InChIKey RUUUIEPCOJRBBY-UHFFFAOYSA-N
Molecular Weight 426.918 g/mol
SMILES OC(CSC=1C=CC=2C(N(C(C3=CC=CC1C23)=O)CCC=1N=CC=CC1)=O)CCl