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N-Methyl-2,7-bis[14'-(p-toluenesulfonyl)-3',6',9',12'-tetraoxatetradecyloxycarbonyl)methyl]-N-methylphenothiazinhe
SpectraBase Compound ID 9amyx7cfrqj
InChI InChI=1S/C51H67NO16S3/c1-40-4-10-44(11-5-40)70(55,56)34-32-65-26-24-61-18-16-59-20-22-63-28-30-67-50(53)38-42-9-15-48-47(36-42)52(3)46-14-8-43(37-49(46)69-48)39-51(54)68-31-29-64-23-21-60-17-19-62-25-27-66-33-35-71(57,58)45-12-6-41(2)7-13-45/h4-15,36-37H,16-35,38-39H2,1-3H3
InChIKey HIBJCRDKYOETIL-UHFFFAOYSA-N
Mol Weight 1046.3 g/mol
Molecular Formula C51H67NO16S3
Exact Mass 1045.362199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyjYSLCphSo
Name N-Methyl-2,7-bis[14'-(p-toluenesulfonyl)-3',6',9',12'-tetraoxatetradecyloxycarbonyl)methyl]-N-methylphenothiazinhe
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Formula C51H67NO16S3
InChI InChI=1S/C51H67NO16S3/c1-40-4-10-44(11-5-40)70(55,56)34-32-65-26-24-61-18-16-59-20-22-63-28-30-67-50(53)38-42-9-15-48-47(36-42)52(3)46-14-8-43(37-49(46)69-48)39-51(54)68-31-29-64-23-21-60-17-19-62-25-27-66-33-35-71(57,58)45-12-6-41(2)7-13-45/h4-15,36-37H,16-35,38-39H2,1-3H3
InChIKey HIBJCRDKYOETIL-UHFFFAOYSA-N
Molecular Weight 1046.268 g/mol
SMILES c12N(c3c(Sc2ccc(c1)CC(=O)OCCOCCOCCOCCOCCS(c1ccc(cc1)C)(=O)=O)cc(cc3)CC(=O)OCCOCCOCCOCCOCCS(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-052o-9600000000-052cf692550058230428
Source of Spectrum K1-2001-3273-22
Wiley ID 814194