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Dimethyl 2-(bis(2-pyrrol)methyl)-1,3-benzenediacetate
SpectraBase Compound ID 5SKN3ThxsD7
InChI InChI=1S/C21H22N2O4/c1-26-18(24)12-14-6-3-7-15(13-19(25)27-2)20(14)21(16-8-4-10-22-16)17-9-5-11-23-17/h3-11,21-23H,12-13H2,1-2H3
InChIKey CWXMNZWHLVNBBI-UHFFFAOYSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEhyXM47w5B
Name Dimethyl 2-(bis(2-pyrrol)methyl)-1,3-benzenediacetate
Alternate Name(s) Dimethyl 2-(bis(2-pyrryl)methyl)-1,3-benzenediacetate Methyl[2-[di(1H-pyrrol-2-yl)methyl]-3-(2-methoxy-2-oxoethyl)phenyl]acetate
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Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-26-18(24)12-14-6-3-7-15(13-19(25)27-2)20(14)21(16-8-4-10-22-16)17-9-5-11-23-17/h3-11,21-23H,12-13H2,1-2H3
InChIKey CWXMNZWHLVNBBI-UHFFFAOYSA-N
Molecular Weight 366.417 g/mol
SMILES [nH]1cccc1C(c1[nH]ccc1)c1c(CC(=O)OC)cccc1CC(=O)OC
SPLASH splash10-014i-0009000000-3b030b39a96bddb3e905
Source of Spectrum C-116-4249-16
Wiley ID 1352034