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1-Phenyl-3-methyl-5-(methoxycarbonyl)-6-[(4-methylphenylamino)(4-methylphenylimino)methyl]-7-methoxy)pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID 3SJa8PYiFS9
InChI InChI=1S/C31H30N6O3/c1-20-11-15-23(16-12-20)32-30(33-24-17-13-21(2)14-18-24)36-27(29(38)39-4)19-26-22(3)35-37(25-9-7-6-8-10-25)28(26)34-31(36)40-5/h6-19H,1-5H3,(H,32,33)
InChIKey GCSRMSJVAIFNEL-UHFFFAOYSA-N
Mol Weight 534.62 g/mol
Molecular Formula C31H30N6O3
Exact Mass 534.237939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EElSQ95POpu
Name 1-Phenyl-3-methyl-5-(methoxycarbonyl)-6-[(4-methylphenylamino)(4-methylphenylimino)methyl]-7-methoxy)pyrazolo[3,4-D][1,3]diazepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.237938847 u
Formula C31H30N6O3
InChI InChI=1S/C31H30N6O3/c1-20-11-15-23(16-12-20)32-30(33-24-17-13-21(2)14-18-24)36-27(29(38)39-4)19-26-22(3)35-37(25-9-7-6-8-10-25)28(26)34-31(36)40-5/h6-19H,1-5H3,(H,32,33)
InChIKey GCSRMSJVAIFNEL-UHFFFAOYSA-N
Molecular Weight 534.620 g/mol
SMILES C1=2N=C(N(\C(=N\C=3C=CC(=CC3)C)NC3=CC=C(C=C3)C)C(=CC2C(C)=NN1C1=CC=CC=C1)C(=O)OC)OC