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1,7-Bis-(4-hydroxy-3-methoxyphenyl)-4-((3-methyl-5-morpholino-1-phenyl-1H-pyrazol-4-yl)methylene)hepta-1,6-diene-3,5-dione

View entire compound with spectra: 1 MS (GC)

1,7-Bis-(4-hydroxy-3-methoxyphenyl)-4-((3-methyl-5-morpholino-1-phenyl-1H-pyrazol-4-yl)methylene)hepta-1,6-diene-3,5-dione
SpectraBase Compound ID 2ZdGSRepnJR
InChI InChI=1S/C36H35N3O7/c1-24-28(36(38-17-19-46-20-18-38)39(37-24)27-7-5-4-6-8-27)23-29(30(40)13-9-25-11-15-32(42)34(21-25)44-2)31(41)14-10-26-12-16-33(43)35(22-26)45-3/h4-16,21-23,42-43H,17-20H2,1-3H3/b13-9+,14-10+
InChIKey TYCFRBANTNWVFX-UTLPMFLDSA-N
Mol Weight 621.7 g/mol
Molecular Formula C36H35N3O7
Exact Mass 621.2475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QUqPuYEqaQ
Name 1,7-Bis-(4-hydroxy-3-methoxyphenyl)-4-((3-methyl-5-morpholino-1-phenyl-1H-pyrazol-4-yl)methylene)hepta-1,6-diene-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H35N3O7
InChI InChI=1S/C36H35N3O7/c1-24-28(36(38-17-19-46-20-18-38)39(37-24)27-7-5-4-6-8-27)23-29(30(40)13-9-25-11-15-32(42)34(21-25)44-2)31(41)14-10-26-12-16-33(43)35(22-26)45-3/h4-16,21-23,42-43H,17-20H2,1-3H3/b13-9+,14-10+
InChIKey TYCFRBANTNWVFX-UTLPMFLDSA-N
Literature Reference DOI 10.1002/ardp.201300203
Molecular Weight 621.690 g/mol
SMILES Oc1c(cc(\C=C\C(C(C(\C=C\c2cc(c(cc2)O)OC)=O)=Cc2c(n[n](c2N2CCOCC2)-c2ccccc2)C)=O)cc1)OC
SPLASH splash10-004i-9000000000-1477425beff711a25666
Source of Spectrum APC-347-132-27
Synonyms (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-((3-methyl-5-morpholino-1-phenyl-1H-pyrazol-4-yl)methylene)hepta-1,6-diene-3,5-dione
Wiley ID 1769582