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5,5-Dioxo-N,N'-Bis-(4-phenylbutyl)-phenothiazine-2,8-dicarboxamide
SpectraBase Compound ID I89GY35rbuy
InChI InChI=1S/C34H35N3O4S/c38-33(35-21-9-7-15-25-11-3-1-4-12-25)27-17-19-31-29(23-27)37-30-24-28(18-20-32(30)42(31,40)41)34(39)36-22-10-8-16-26-13-5-2-6-14-26/h1-6,11-14,17-20,23-24,37H,7-10,15-16,21-22H2,(H,35,38)(H,36,39)
InChIKey LJVQADYFSKXEQG-UHFFFAOYSA-N
Mol Weight 581.7 g/mol
Molecular Formula C34H35N3O4S
Exact Mass 581.234828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4zNeUrzG1z
Name 5,5-Dioxo-N,N'-bis(4'-phenylbutyl)-phenothiazine-2,8-dicarboxamide
Alternate Name(s) N(2),N(8)-bis(4-phenylbutyl)-10H-phenothiazine-2,8-dicarboxamide 5,5-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H35N3O4S
InChI InChI=1S/C34H35N3O4S/c38-33(35-21-9-7-15-25-11-3-1-4-12-25)27-17-19-31-29(23-27)37-30-24-28(18-20-32(30)42(31,40)41)34(39)36-22-10-8-16-26-13-5-2-6-14-26/h1-6,11-14,17-20,23-24,37H,7-10,15-16,21-22H2,(H,35,38)(H,36,39)
InChIKey LJVQADYFSKXEQG-UHFFFAOYSA-N
Molecular Weight 581.731 g/mol
SMILES N(C(c1cc2c(S(c3ccc(C(=O)NCCCCc4ccccc4)cc3N2)(=O)=O)cc1)=O)CCCCc1ccccc1
SPLASH splash10-000x-9610400000-8c99d1e30b2261a833f6
Source of Spectrum D8-325-237-0
Wiley ID 1514377