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1,4'-Bis[5-carboxy-6-(4'-(2'-carboxyethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]biphenyl
SpectraBase Compound ID F2HmnnBiRG1
InChI InChI=1S/C56H32N2O12/c59-45(60)27-5-29-1-7-33(8-2-29)37-19-21-39-49-41(23-25-43(47(37)49)55(67)68)53(65)57(51(39)63)35-15-11-31(12-16-35)32-13-17-36(18-14-32)58-52(64)40-22-20-38(34-9-3-30(4-10-34)6-28-46(61)62)48-44(56(69)70)26-24-42(50(40)48)54(58)66/h1-28H,(H,59,60)(H,61,62)(H,67,68)(H,69,70)/b27-5+,28-6+
InChIKey LGPXDRSNBIPXNP-JYJDNVAOSA-N
Mol Weight 924.9 g/mol
Molecular Formula C56H32N2O12
Exact Mass 924.195524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnH0gISnedp
Name 1,4'-Bis[5-carboxy-6-(4'-(2'-carboxyethenyl)phenyl)-2H,9H-naphtho[1,8a,8:c,d]pyridine-2,9-dione]biphenyl
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H32N2O12
InChI InChI=1S/C56H32N2O12/c59-45(60)27-5-29-1-7-33(8-2-29)37-19-21-39-49-41(23-25-43(47(37)49)55(67)68)53(65)57(51(39)63)35-15-11-31(12-16-35)32-13-17-36(18-14-32)58-52(64)40-22-20-38(34-9-3-30(4-10-34)6-28-46(61)62)48-44(56(69)70)26-24-42(50(40)48)54(58)66/h1-28H,(H,59,60)(H,61,62)(H,67,68)(H,69,70)/b27-5+,28-6+
InChIKey LGPXDRSNBIPXNP-JYJDNVAOSA-N
Molecular Weight 924.874 g/mol
SMILES OC(\C=C\c1ccc(-c2ccc3c4c2c(ccc4C(N(c2ccc(-c4ccc(N5C(c6c7c(c(C(=O)O)ccc7C5=O)c(cc6)-c5ccc(\C=C\C(=O)O)cc5)=O)cc4)cc2)C3=O)=O)C(=O)O)cc1)=O
SPLASH splash10-0059-0000000079-11f8b1eb8e71558cb424
Source of Spectrum H1-55-1538-8
Wiley ID 1564573