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N-[1-(Ethoxycarbonyl)ethyl]-3,7,4,8-tetraphenyl-2,6-Imino-2H,6H-1,5-dithiocine
SpectraBase Compound ID 2dz1HxRq5c5
InChI InChI=1S/C35H31NO2S2/c1-3-38-35(37)24(2)36-33-29(25-16-8-4-9-17-25)31(27-20-12-6-13-21-27)39-34(36)30(26-18-10-5-11-19-26)32(40-33)28-22-14-7-15-23-28/h4-24,33-34H,3H2,1-2H3/t24?,33-,34-/m1/s1
InChIKey CQLVKTLUXFMPLE-ZGQURPGFSA-N
Mol Weight 561.8 g/mol
Molecular Formula C35H31NO2S2
Exact Mass 561.179622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16gxuerzMW
Name N-[1-(Ethoxycarbonyl)ethyl]-3,7,4,8-tetraphenyl-2,6-Imino-2H,6H-1,5-dithiocine
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Formula C35H31NO2S2
InChI InChI=1S/C35H31NO2S2/c1-3-38-35(37)24(2)36-33-29(25-16-8-4-9-17-25)31(27-20-12-6-13-21-27)39-34(36)30(26-18-10-5-11-19-26)32(40-33)28-22-14-7-15-23-28/h4-24,33-34H,3H2,1-2H3/t24?,33-,34-/m1/s1
InChIKey CQLVKTLUXFMPLE-ZGQURPGFSA-N
Molecular Weight 561.758 g/mol
SMILES [C@]12(N([C@](SC(=C2c2ccccc2)c2ccccc2)(C(=C(c2ccccc2)S1)c1ccccc1)[H])C(C(=O)OCC)C)[H]
SPLASH splash10-0c33-0690060000-b80a2a24942314ef7d94
Source of Spectrum SO-0-789-3
Wiley ID 876693