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Dibenzyl 3,7-diethyl-2,8-dimethyl-5-(4-methoxyphenyl)dipyrromethane-1,9-dicarboxylate
SpectraBase Compound ID 1ZsTgyCqxNb
InChI InChI=1S/C38H40N2O5/c1-6-30-24(3)33(37(41)44-22-26-14-10-8-11-15-26)39-35(30)32(28-18-20-29(43-5)21-19-28)36-31(7-2)25(4)34(40-36)38(42)45-23-27-16-12-9-13-17-27/h8-21,32,39-40H,6-7,22-23H2,1-5H3
InChIKey VKXIVZXNKMYFDG-UHFFFAOYSA-N
Mol Weight 604.7 g/mol
Molecular Formula C38H40N2O5
Exact Mass 604.293722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53lQASH5pm4
Name Dibenzyl 3,7-diethyl-2,8-dimethyl-5-(4-methoxyphenyl)dipyrromethane-1,9-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C38H40N2O5
InChI InChI=1S/C38H40N2O5/c1-6-30-24(3)33(37(41)44-22-26-14-10-8-11-15-26)39-35(30)32(28-18-20-29(43-5)21-19-28)36-31(7-2)25(4)34(40-36)38(42)45-23-27-16-12-9-13-17-27/h8-21,32,39-40H,6-7,22-23H2,1-5H3
InChIKey VKXIVZXNKMYFDG-UHFFFAOYSA-N
Molecular Weight 604.747 g/mol
SMILES [nH]1c(c(c(c1C(c1[nH]c(c(c1CC)C)C(OCc1ccccc1)=O)c1ccc(cc1)OC)CC)C)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-0e13ec58a6e5460480c2
Source of Spectrum F4-40-879-13
Wiley ID 1670408