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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 1aLDVMQNnFu
Name 5,5-Dioxo-N,N'-Bis-(4-phenylbutyl)-phenothiazine-2,8-dicarboxamide
Alternate Name(s) N2,N8-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
Literature Reference DOI 10.1002/ardp.19923250408
Molecular Weight 581.731 g/mol
SMILES N1c2c(S(c3ccc(C(NCCCCc4ccccc4)=O)cc13)(=O)=O)ccc(c2)C(NCCCCc1ccccc1)=O
SPLASH splash10-000x-9610420000-e0da236ed7d967411feb
Source of Spectrum APC-325-237-237_2
Wiley ID 1799085