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Methyl 2-(1,3-dithian-2-yl)-N-(diphenylmethylene)-DL-tryptophanate
SpectraBase Compound ID CidRXK46pkc
InChI InChI=1S/C29H28N2O2S2/c1-33-28(32)25(31-26(20-11-4-2-5-12-20)21-13-6-3-7-14-21)19-23-22-15-8-9-16-24(22)30-27(23)29-34-17-10-18-35-29/h2-9,11-16,25,29-30H,10,17-19H2,1H3
InChIKey CZVXDNNFNLQKPM-UHFFFAOYSA-N
Mol Weight 500.68 g/mol
Molecular Formula C29H28N2O2S2
Exact Mass 500.15922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LN19m1yakpG
Name Methyl 2-(1,3-dithian-2-yl)-N-(diphenylmethylene)-DL-tryptophanate
Comments Less than 3 mono-isotopic peaks
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Formula C29H28N2O2S2
InChI InChI=1S/C29H28N2O2S2/c1-33-28(32)25(31-26(20-11-4-2-5-12-20)21-13-6-3-7-14-21)19-23-22-15-8-9-16-24(22)30-27(23)29-34-17-10-18-35-29/h2-9,11-16,25,29-30H,10,17-19H2,1H3
InChIKey CZVXDNNFNLQKPM-UHFFFAOYSA-N
Molecular Weight 500.675 g/mol
SMILES [nH]1c2c(c(c1C1SCCCS1)CC(N=C(c1ccccc1)c1ccccc1)C(=O)OC)cccc2
SPLASH splash10-0002-0090010000-4c1d60fc3f92aed24c99
Source of Spectrum SO-0-371-3
Synonyms methyl 2-[(diphenylmethylene)amino]-3-[2-(1,3-dithian-2-yl)-1H-indol-3-yl]propanoate
Wiley ID 1545593