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1,4,6,8-Tetrakis[.beta.-(methoxycarbonyl)ethyl]-2,3,5,7-tetrakis[(metHoxycarbonyl)methyl]bilane
SpectraBase Compound ID BwLubG8OyAL
InChI InChI=1S/C47H60N4O16/c1-60-40(52)13-9-26-24-48-34(30(26)17-44(56)64-5)21-36-28(11-15-42(54)62-3)33(20-47(59)67-8)39(50-36)23-37-29(12-16-43(55)63-4)32(19-46(58)66-7)38(51-37)22-35-31(18-45(57)65-6)27(25-49-35)10-14-41(53)61-2/h24-25,48-51H,9-23H2,1-8H3
InChIKey RHJYUMLNOONMEF-UHFFFAOYSA-N
Mol Weight 937.0 g/mol
Molecular Formula C47H60N4O16
Exact Mass 936.400432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5s5r5xv1XD1
Name 1,4,6,8-Tetrakis[.beta.-(methoxycarbonyl)ethyl]-2,3,5,7-tetrakis[(metHoxycarbonyl)methyl]bilane
Alternate Name(s) Methyl 3-[4-(2-methoxy-2-oxoethyl)-2-{[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-5-{[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-pyrrol-2-yl]methyl}-1H-pyrrol-3-yl]propanoate
CAS Registry Number 63341-07-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H60N4O16
InChI InChI=1S/C47H60N4O16/c1-60-40(52)13-9-26-24-48-34(30(26)17-44(56)64-5)21-36-28(11-15-42(54)62-3)33(20-47(59)67-8)39(50-36)23-37-29(12-16-43(55)63-4)32(19-46(58)66-7)38(51-37)22-35-31(18-45(57)65-6)27(25-49-35)10-14-41(53)61-2/h24-25,48-51H,9-23H2,1-8H3
InChIKey RHJYUMLNOONMEF-UHFFFAOYSA-N
Molecular Weight 937.009 g/mol
SMILES [nH]1c(Cc2c(c(c(Cc3c(c(CCC(=O)OC)c[nH]3)CC(=O)OC)[nH]2)CC(=O)OC)CCC(=O)OC)c(c(CCC(=O)OC)c1Cc1c(c(CCC(=O)OC)c[nH]1)CC(=O)OC)CC(=O)OC
SPLASH splash10-03di-0000900001-e474f9d1e40229a6c57c
Source of Spectrum J-46-867-0
Wiley ID 1418196