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Methyl N,N'-di(acridin-9-ylcarbonyl)-imidothiocarbamate
SpectraBase Compound ID BzSIY7cCvlb
InChI InChI=1S/C30H20N4O2S/c1-37-30(33-28(35)26-18-10-2-6-14-22(18)31-23-15-7-3-11-19(23)26)34-29(36)27-20-12-4-8-16-24(20)32-25-17-9-5-13-21(25)27/h2-17H,1H3,(H,33,34,35,36)
InChIKey BMEINDVHVYCRAN-UHFFFAOYSA-N
Mol Weight 500.58 g/mol
Molecular Formula C30H20N4O2S
Exact Mass 500.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcvMaB6vSoG
Name Methyl N,N'-di(acridin-9-ylcarbonyl)-imidothiocarbamate
Alternate Name(s) N,N'-bis[9-acridinyl(oxo)methyl]carbamimidothioic acid methyl ester methyl N,N'-bis(acridine-9-carbonyl)carbamimidothioate N-[N-(acridine-9-carbonyl)-C-methylsulfanyl-carbonimidoyl]acridine-9-carboxamide methyl N,N'-bis(acridin-9-ylcarbonyl)carbamimidothioate
Comments Less than 3 mono-isotopic peaks
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Formula C30H20N4O2S
InChI InChI=1S/C30H20N4O2S/c1-37-30(33-28(35)26-18-10-2-6-14-22(18)31-23-15-7-3-11-19(23)26)34-29(36)27-20-12-4-8-16-24(20)32-25-17-9-5-13-21(25)27/h2-17H,1H3,(H,33,34,35,36)
InChIKey BMEINDVHVYCRAN-UHFFFAOYSA-N
Molecular Weight 500.576 g/mol
SMILES N(C(c1c2c(cccc2)nc2c1cccc2)=O)\C(=N\C(c1c2c(cccc2)nc2c1cccc2)=O)SC
SPLASH splash10-0a4i-9000000000-ca904ea6924e04fe9240
Source of Spectrum F2-46-271-10a
Wiley ID 1689905