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1-[Bis[5-ethoxycarbonyl)-4-ethyl-3-methyl-2-pyrroyl]methyl]-4-[bis[(benzyloxy)carbonyl]-4-ethyl-3-methyl-2-pyrroyl]methyl]benzene
SpectraBase Compound ID CmpPBXj8QFJ
InChI InChI=1S/C56H62N4O8/c1-11-41-35(9)47(59-51(41)55(63)65-13-3)44(48-36(10)42(12-2)52(60-48)56(64)66-14-4)40-27-25-39(26-28-40)43(45-31(5)33(7)49(57-45)53(61)67-29-37-21-17-15-18-22-37)46-32(6)34(8)50(58-46)54(62)68-30-38-23-19-16-20-24-38/h15-28,43-44,57-60H,11-14,29-30H2,1-10H3
InChIKey DTEUUXFBBLFEMA-UHFFFAOYSA-N
Mol Weight 919.1 g/mol
Molecular Formula C56H62N4O8
Exact Mass 918.456765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XEc0JB6W31
Name 1-[Bis[5-ethoxycarbonyl)-4-ethyl-3-methyl-2-pyrroyl]methyl]-4-[bis[(benzyloxy)carbonyl]-4-ethyl-3-methyl-2-pyrroyl]methyl]benzene
Alternate Name(s) benzyl 5-({5-[(benzyloxy)carbonyl]-3,4-dimethyl-1H-pyrrol-2-yl}(4-{bis[5-(ethoxycarbonyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl}phenyl)methyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H62N4O8
InChI InChI=1S/C56H62N4O8/c1-11-41-35(9)47(59-51(41)55(63)65-13-3)44(48-36(10)42(12-2)52(60-48)56(64)66-14-4)40-27-25-39(26-28-40)43(45-31(5)33(7)49(57-45)53(61)67-29-37-21-17-15-18-22-37)46-32(6)34(8)50(58-46)54(62)68-30-38-23-19-16-20-24-38/h15-28,43-44,57-60H,11-14,29-30H2,1-10H3
InChIKey DTEUUXFBBLFEMA-UHFFFAOYSA-N
Molecular Weight 919.132 g/mol
SMILES [nH]1c(c(c(c1C(c1ccc(C(c2[nH]c(c(c2C)CC)C(=O)OCC)c2[nH]c(c(c2C)CC)C(=O)OCC)cc1)c1[nH]c(c(c1C)C)C(OCc1ccccc1)=O)C)C)C(OCc1ccccc1)=O
SPLASH splash10-0aor-0900000006-77238ea778e32dc91931
Source of Spectrum C-118-3879-32
Wiley ID 759539