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2-Chloro-10-phenothiazinepropionic acid, vanillylidenehydrazide

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2-Chloro-10-phenothiazinepropionic acid, vanillylidenehydrazide
SpectraBase Compound ID KNBgJvQVe7r
InChI InChI=1S/C23H20ClN3O3S/c1-30-20-12-15(6-8-19(20)28)14-25-26-23(29)10-11-27-17-4-2-3-5-21(17)31-22-9-7-16(24)13-18(22)27/h2-9,12-14,28H,10-11H2,1H3,(H,26,29)/b25-14+
InChIKey ANEFGTXBQLROFV-AFUMVMLFSA-N
Mol Weight 453.94 g/mol
Molecular Formula C23H20ClN3O3S
Exact Mass 453.09139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAKAKWEtRWf
Name 2-Chloro-10-phenothiazinepropionic acid, vanillylidenehydrazide
Comments Computed using HOSE algorithm
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Exact Mass 453.091390387 u
Formula C23H20ClN3O3S
InChI InChI=1S/C23H20ClN3O3S/c1-30-20-12-15(6-8-19(20)28)14-25-26-23(29)10-11-27-17-4-2-3-5-21(17)31-22-9-7-16(24)13-18(22)27/h2-9,12-14,28H,10-11H2,1H3,(H,26,29)/b25-14+
InChIKey ANEFGTXBQLROFV-AFUMVMLFSA-N
Molecular Weight 453.944 g/mol
SMILES N(\N=C\C1=CC(=C(C=C1)O)OC)C(=O)CCN1C=2C=C(Cl)C=CC2SC2=C1C=CC=C2