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2-amino-6-phenyl-4-(4-(4-phenylpiperazin-1-yl)phenyl)-4H-pyran-3,5-dicarbonitrile
SpectraBase Compound ID IPlMVd1SYiy
InChI InChI=1S/C29H25N5O/c30-19-25-27(26(20-31)29(32)35-28(25)22-7-3-1-4-8-22)21-11-13-24(14-12-21)34-17-15-33(16-18-34)23-9-5-2-6-10-23/h1-14,27H,15-18,32H2
InChIKey UBVPGBYRXUMERZ-UHFFFAOYSA-N
Mol Weight 459.55 g/mol
Molecular Formula C29H25N5O
Exact Mass 459.20591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESxGrVwSAne
Name 2-amino-6-phenyl-4-(4-(4-phenylpiperazin-1-yl)phenyl)-4H-pyran-3,5-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25N5O
InChI InChI=1S/C29H25N5O/c30-19-25-27(26(20-31)29(32)35-28(25)22-7-3-1-4-8-22)21-11-13-24(14-12-21)34-17-15-33(16-18-34)23-9-5-2-6-10-23/h1-14,27H,15-18,32H2
InChIKey UBVPGBYRXUMERZ-UHFFFAOYSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002_1097-0231(20001015)14_19_1783
Molecular Weight 459.553 g/mol
SMILES NC=1OC(=C(C(C1C#N)c1ccc(N2CCN(CC2)c2ccccc2)cc1)C#N)c1ccccc1
SPLASH splash10-0a4l-1908000000-afccf5bb6e5b9a27eafb
Source of Spectrum RCM-14-1784-3
Wiley ID 1839124