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[bis[5-(3',4',5'-Trimethylpyrrol-2'-yl)methyene-3-ethyl-4-methylpyrrol-2-yl)]-ketone}-dibromide

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[bis[5-(3',4',5'-Trimethylpyrrol-2'-yl)methyene-3-ethyl-4-methylpyrrol-2-yl)]-ketone}-dibromide
SpectraBase Compound ID B3udjewEK7g
InChI InChI=1S/C31H38N4O.2BrH/c1-11-23-19(7)27(13-25-17(5)15(3)21(9)32-25)34-29(23)31(36)30-24(12-2)20(8)28(35-30)14-26-18(6)16(4)22(10)33-26;;/h13-14,32,35H,11-12H2,1-10H3;2*1H/b26-14-,27-13-;;
InChIKey VYRQWDPTUIUAKA-XJVAQAOQSA-N
Mol Weight 644.496 g/mol
Molecular Formula C31H40Br2N4O
Exact Mass 642.156888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWwdlrbSxDK
Name [bis[5-(3',4',5'-Trimethylpyrrol-2'-yl)methyene-3-ethyl-4-methylpyrrol-2-yl)]-ketone}-dibromide
Alternate Name(s) (8,12-diethyl-1,2,3,7,13,17,18,19-octamethylbiladien-ac-10-onato)cobalt(II)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40Br2N4O
InChI InChI=1S/C31H38N4O.2BrH/c1-11-23-19(7)27(13-25-17(5)15(3)21(9)32-25)34-29(23)31(36)30-24(12-2)20(8)28(35-30)14-26-18(6)16(4)22(10)33-26;;/h13-14,32,35H,11-12H2,1-10H3;2*1H/b26-14-,27-13-;;
InChIKey VYRQWDPTUIUAKA-XJVAQAOQSA-N
Molecular Weight 644.496 g/mol
SMILES [Br-].[NH+]=1\C(=C/c2[nH]c(c(c2C)C)C)C(C)=C(C1C(c1[nH]c(c(c1CC)C)\C=C/1[NH+]=C(C(=C1C)C)C)=O)CC.[Br-]
SPLASH splash10-001i-0001900000-347605a38774e82a75fb
Source of Spectrum KA-0-3937-0
Wiley ID 1412708