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6-Amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-propoxyphenyl)-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
SpectraBase Compound ID Gj9PuP8k3Qe
InChI InChI=1S/C25H26N4O4/c1-4-12-32-17-9-6-15(7-10-17)21-18(14-26)24(27)33-25-22(21)23(28-29-25)16-8-11-19(31-5-2)20(13-16)30-3/h6-11,13,21H,4-5,12,27H2,1-3H3,(H,28,29)
InChIKey FJJMUWONHYEINM-UHFFFAOYSA-N
Mol Weight 446.51 g/mol
Molecular Formula C25H26N4O4
Exact Mass 446.195405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2g5oK3Byre
Name 6-Amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-propoxyphenyl)-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.195405329 u
Formula C25H26N4O4
InChI InChI=1S/C25H26N4O4/c1-4-12-32-17-9-6-15(7-10-17)21-18(14-26)24(27)33-25-22(21)23(28-29-25)16-8-11-19(31-5-2)20(13-16)30-3/h6-11,13,21H,4-5,12,27H2,1-3H3,(H,28,29)
InChIKey FJJMUWONHYEINM-UHFFFAOYSA-N
Molecular Weight 446.507 g/mol
SMILES NC1=C(C(C2=C(O1)NN=C2C=1C=C(OC)C(=CC1)OCC)C1=CC=C(C=C1)OCCC)C#N