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Methyl Green
SpectraBase Compound ID 1IwLIW44cVx
InChI InChI=1S/C26H33N3.2ClH/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;/h8-19H,1-7H3;2*1H/q+2;;/p-2
InChIKey DWCZIOOZPIDHAB-UHFFFAOYSA-L
Mol Weight 458.48 g/mol
Molecular Formula C26H33Cl2N3
Exact Mass 457.205153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzBnU5xwD9I
Name 4-((4-(dimethylamino)phenyl)(4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-N,N,n-trimethylanilinium dichloride
Alternate Name(s) C.I. Basic Blue 20 C.I. Basic Violet 3, compd. with chloromethane (1:1) Methyl green Double green Methyl green chloride [4-[[4-(dimethylamino)phenyl]-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)methyl]phenyl]-trimethylammonium;dichloride [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium;dichloride 4-((4-(dimethylamino)phenyl)(4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-N,N,N-trimethylbenzenaminium chloride [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethyl-azanium;dichloride EINECS 201-447-6
CAS Registry Number 82-94-0
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Formula C26H33Cl2N3
InChI InChI=1S/C26H33N3.2ClH/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;/h8-19H,1-7H3;2*1H/q+2;;/p-2
InChIKey DWCZIOOZPIDHAB-UHFFFAOYSA-L
Molecular Weight 458.477 g/mol
SMILES [Cl-].c1([N+](C)(C)C)ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C.[Cl-]
SPLASH splash10-01di-9400000000-1ac9561030509b861ab7
Source of Spectrum JX-2015-6-65
Wiley ID 1727734