John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Jn7lEkvzC71 SpectraBase Spectrum ID=2b29eGmMLR4

(accessed ).
ALPHA,ALPHA-BIS-(5-AMINO-3-METHYL-1-PHENYLPYRAZOL-4-YL)-3,4,5-TRIMETHOXYTOLUENE
SpectraBase Compound ID Jn7lEkvzC71
InChI InChI=1S/C30H32N6O3/c1-18-25(29(31)35(33-18)21-12-8-6-9-13-21)27(20-16-23(37-3)28(39-5)24(17-20)38-4)26-19(2)34-36(30(26)32)22-14-10-7-11-15-22/h6-17,27H,31-32H2,1-5H3
InChIKey DBHCSUSJTMUMHR-UHFFFAOYSA-N
Mol Weight 524.6 g/mol
Molecular Formula C30H32N6O3
Exact Mass 524.253589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2b29eGmMLR4
Name ALPHA,ALPHA-BIS-(5-AMINO-3-METHYL-1-PHENYLPYRAZOL-4-YL)-3,4,5-TRIMETHOXYTOLUENE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32N6O3
InChI InChI=1S/C30H32N6O3/c1-18-25(29(31)35(33-18)21-12-8-6-9-13-21)27(20-16-23(37-3)28(39-5)24(17-20)38-4)26-19(2)34-36(30(26)32)22-14-10-7-11-15-22/h6-17,27H,31-32H2,1-5H3
InChIKey DBHCSUSJTMUMHR-UHFFFAOYSA-N
Literature Reference Author J.QUIROGA,J.PORTILLA,B.INSUASTY,R.ABONIA,M.NOGUERAS,M.SORTIN O,S.ZACCHINO
Literature Reference Citation J.HETCYCL.CHEM.,42,61(2005)
Literature Reference DOI 10.1002/jhet.5570420108
Molecular Weight 524.622 g/mol
Sample ID 42305
Solvent DMSO-D6
SpectraBase Batch ID BMK2ngYYWjK