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5,5'-(1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7(1H,3H,6H,8H)-diyl)diisophthalic acid
SpectraBase Compound ID Ifw2PxcwGMf
InChI InChI=1S/C30H14N2O12/c33-23-17-1-2-18-22-20(26(36)32(24(18)34)16-9-13(29(41)42)6-14(10-16)30(43)44)4-3-19(21(17)22)25(35)31(23)15-7-11(27(37)38)5-12(8-15)28(39)40/h1-10H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)
InChIKey RYFYCPDCRKHALS-UHFFFAOYSA-N
Mol Weight 594.44 g/mol
Molecular Formula C30H14N2O12
Exact Mass 594.054674 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B3xEcj3Z70Y
Name 5,5'-(1,3,6,8-tetraoxobenzo[lmn][3,8]phenanthroline-2,7(1H,3H,6H,8H)-diyl)diisophthalic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H14N2O12/c33-23-17-1-2-18-22-20(26(36)32(24(18)34)16-9-13(29(41)42)6-14(10-16)30(43)44)4-3-19(21(17)22)25(35)31(23)15-7-11(27(37)38)5-12(8-15)28(39)40/h1-10H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)
InChIKey RYFYCPDCRKHALS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1140
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/5105217; Labnumber: LN-75; IOH_ID: IOH-008142