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OR-1746;{4-ETHOXY-6-IMINO-5-{[4-(4-METHYL-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZIN-3-YL)-PHENYL]-HYDRAZONO}-5,6-DIHYDRO-1-H-PYRIMIDIN-2-YLIDENE}-
SpectraBase Compound ID B9UHjPKGS6Q
InChI InChI=1S/C30H30N12O3/c1-4-45-30-27(42-36-21-11-7-19(8-12-21)26-17(3)14-24(44)39-41-26)28(32)33-29(34-30)22(15-31)37-35-20-9-5-18(6-10-20)25-16(2)13-23(43)38-40-25/h5-12,16-17,35H,4,13-14H2,1-3H3,(H,38,43)(H,39,44)(H2,32,33,34)/b37-22+,42-36+/t16-,17-/m1/s1
InChIKey KVKNYIOTKLQRSP-IOOHHQSFSA-N
Mol Weight 606.65 g/mol
Molecular Formula C30H30N12O3
Exact Mass 606.256383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OcqZnteHxZ
Name OR-1746;{4-ETHOXY-6-IMINO-5-{[4-(4-METHYL-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZIN-3-YL)-PHENYL]-HYDRAZONO}-5,6-DIHYDRO-1-H-PYRIMIDIN-2-YLIDENE}-
Compound Number I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H30N12O3
InChI InChI=1S/C30H30N12O3/c1-4-45-30-27(42-36-21-11-7-19(8-12-21)26-17(3)14-24(44)39-41-26)28(32)33-29(34-30)22(15-31)37-35-20-9-5-18(6-10-20)25-16(2)13-23(43)38-40-25/h5-12,16-17,35H,4,13-14H2,1-3H3,(H,38,43)(H,39,44)(H2,32,33,34)/b37-22+,42-36+/t16-,17-/m1/s1
InChIKey KVKNYIOTKLQRSP-IOOHHQSFSA-N
Literature Reference Author P.POLLESELLO,P.NORE
Literature Reference Citation J.PHARM.BIOM.ANAL.,31,125(2003)
Literature Reference DOI 10.1016/s0731-7085(02)00567-8
Molecular Weight 606.647 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45130