Dataset

3,5-DIPHENYLPYRAZOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004359 contains the MS mass spectrum of 3,5-DIPHENYLPYRAZOLE with the InChIkey JXHKUYQCEJILEI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
SMILES C1=CC=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3
InChI Key JXHKUYQCEJILEI-UHFFFAOYSA-N
Molecular Formula C15H12N2
Exact Mass 220.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004359
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:02.203653
MetadataModified 2024-01-11T15:56:02.374540
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16251921 PubChem: Thomson Pharma
J45.422B Nikkaji
LADBIB CCDC
MCULE-1758921597 Mcule
SCHEMBL1230353 SureChEMBL
70840 PubChem
50148009 BindingDB
CB8132826 ChemicalBook
DTXSID2061565 EPA CompTox Dashboard
ZINC000000041746 ZINC
CHEMBL375966 ChEMBL
524415 eMolecules
The data in this table is sourced from UniChem at EBI.