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tert-Butyl 3,3'-bis[(methoxycarbonyl)methyl]-4,4'bis[.beta.-(methoxycarbonyl)ethyl]dipyrromethane-5-carboxylate
SpectraBase Compound ID FVCEzBNIaFd
InChI InChI=1S/C28H38N2O10/c1-28(2,3)40-27(35)26-17(9-11-23(32)37-5)19(13-25(34)39-7)21(30-26)14-20-18(12-24(33)38-6)16(15-29-20)8-10-22(31)36-4/h15,29-30H,8-14H2,1-7H3
InChIKey XNSCMPHSPMSQBF-UHFFFAOYSA-N
Mol Weight 562.6 g/mol
Molecular Formula C28H38N2O10
Exact Mass 562.252645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbffyHz9rNq
Name tert-Butyl 3,3'-bis[(methoxycarbonyl)methyl]-4,4'bis[.beta.-(methoxycarbonyl)ethyl]dipyrromethane-5-carboxylate
Alternate Name(s) tert-Butyl 3,3'-bis[(methoxycarbonyl)methyl]-4,4'bis[.beta.-(methoxycarbonyl)ethyl]dipyrrylmethane-5-carboxylate tert-butyl 4-(2-methoxy-2-oxoethyl)-5-{[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
CAS Registry Number 75975-55-2
Comments Less than 3 mono-isotopic peaks
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Formula C28H38N2O10
InChI InChI=1S/C28H38N2O10/c1-28(2,3)40-27(35)26-17(9-11-23(32)37-5)19(13-25(34)39-7)21(30-26)14-20-18(12-24(33)38-6)16(15-29-20)8-10-22(31)36-4/h15,29-30H,8-14H2,1-7H3
InChIKey XNSCMPHSPMSQBF-UHFFFAOYSA-N
Molecular Weight 562.616 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(CCC(=O)OC)c[nH]1)CC(=O)OC)CC(=O)OC)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-0000090000-8fea916d557c32ffce2f
Source of Spectrum J-46-866-0
Wiley ID 1406887