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N-Ethoxycarbonylmethyl-3,7,4,8-tetraphenyl-2,6-Imino-2H,6H-1,5-dithiocine
SpectraBase Compound ID AUfTb8J7Eh3
InChI InChI=1S/C34H29NO2S2/c1-2-37-28(36)23-35-33-29(24-15-7-3-8-16-24)31(26-19-11-5-12-20-26)38-34(35)30(25-17-9-4-10-18-25)32(39-33)27-21-13-6-14-22-27/h3-22,33-34H,2,23H2,1H3/t33-,34-/m1/s1
InChIKey OFMSCCAITVPVMJ-KKLWWLSJSA-N
Mol Weight 547.7 g/mol
Molecular Formula C34H29NO2S2
Exact Mass 547.163972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4I0r1LdQb6K
Name N-Ethoxycarbonylmethyl-3,7,4,8-tetraphenyl-2,6-Imino-2H,6H-1,5-dithiocine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H29NO2S2
InChI InChI=1S/C34H29NO2S2/c1-2-37-28(36)23-35-33-29(24-15-7-3-8-16-24)31(26-19-11-5-12-20-26)38-34(35)30(25-17-9-4-10-18-25)32(39-33)27-21-13-6-14-22-27/h3-22,33-34H,2,23H2,1H3/t33-,34-/m1/s1
InChIKey OFMSCCAITVPVMJ-KKLWWLSJSA-N
Molecular Weight 547.731 g/mol
SMILES [C@]12(N([C@](SC(=C2c2ccccc2)c2ccccc2)(C(=C(c2ccccc2)S1)c1ccccc1)[H])CC(=O)OCC)[H]
SPLASH splash10-05fr-0980080000-e149bfc790cb88536997
Source of Spectrum SO-0-789-3
Wiley ID 876694