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2-(3-ethoxy-10H-phenothiazin-10-yl)-N,N-diethylethanamine oxalate

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2-(3-ethoxy-10H-phenothiazin-10-yl)-N,N-diethylethanamine oxalate
SpectraBase Compound ID AKP6kSU9qVG
InChI InChI=1S/C20H26N2OS.C2H2O4/c1-4-21(5-2)13-14-22-17-9-7-8-10-19(17)24-20-15-16(23-6-3)11-12-18(20)22;3-1(4)2(5)6/h7-12,15H,4-6,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKey KTGCUYPKQJBLMY-UHFFFAOYSA-N
Mol Weight 432.54 g/mol
Molecular Formula C22H28N2O5S
Exact Mass 432.171893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9CYEAjkYDj
Name 2-(3-Ethoxy-10H-phenothiazin-10-yl)-N,N-diethylethanamine oxalate
Comments Computed using HOSE algorithm
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Exact Mass 432.171893179 u
Formula C22H28N2O5S
InChI InChI=1S/C20H26N2OS.C2H2O4/c1-4-21(5-2)13-14-22-17-9-7-8-10-19(17)24-20-15-16(23-6-3)11-12-18(20)22;3-1(4)2(5)6/h7-12,15H,4-6,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKey KTGCUYPKQJBLMY-UHFFFAOYSA-N
Molecular Weight 432.535 g/mol
SMILES OC(C(O)=O)=O.CCOC=1C=CC2=C(C1)SC1=C(N2CCN(CC)CC)C=CC=C1