For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(4-tert-Butylphenoxy)-7-oxo-6-phenyl-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
SpectraBase Compound ID HrNVs41OCpQ
InChI InChI=1S/C29H25N5O2/c1-19-10-14-22(15-11-19)34-26-25(24(18-30)32-34)31-28(33(27(26)35)21-8-6-5-7-9-21)36-23-16-12-20(13-17-23)29(2,3)4/h5-17H,1-4H3
InChIKey ACIWJRUWLVZAHT-UHFFFAOYSA-N
Mol Weight 475.55 g/mol
Molecular Formula C29H25N5O2
Exact Mass 475.200825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Iq40KEGKav3
Name 5-(4-tert-Butylphenoxy)-7-oxo-6-phenyl-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25N5O2
InChI InChI=1S/C29H25N5O2/c1-19-10-14-22(15-11-19)34-26-25(24(18-30)32-34)31-28(33(27(26)35)21-8-6-5-7-9-21)36-23-16-12-20(13-17-23)29(2,3)4/h5-17H,1-4H3
InChIKey ACIWJRUWLVZAHT-UHFFFAOYSA-N
Instrument Name Finnigan trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.627
Molecular Weight 475.552 g/mol
SMILES C=1(N(C(c2c(N1)c(n[n]2-c1ccc(cc1)C)C#N)=O)c1ccccc1)Oc1ccc(cc1)C(C)(C)C
SPLASH splash10-0h03-4107900000-e54fac438a29154ac21d
Source of Spectrum ARK-2012-300-4b
Wiley ID 1864672