Dataset

4-BENZYL-3,5-DIMETHYLPYRAZOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004317 contains the MS mass spectrum of 4-BENZYL-3,5-DIMETHYLPYRAZOLE with the InChIkey DYXNQVLCTOFNRG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H14N2/c1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,13,14)
SMILES CC1=C(C(=NN1)C)CC2=CC=CC=C2
InChI Key DYXNQVLCTOFNRG-UHFFFAOYSA-N
Molecular Formula C12H14N2
Exact Mass 186.116 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-JP004317
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:22.331995
MetadataModified 2024-01-11T15:56:22.491979
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000003164664 ZINC
DTXSID00341465 EPA CompTox Dashboard
MCULE-6859678288 Mcule
OBUHOK CCDC
J46.786C Nikkaji
SCHEMBL1774454 SureChEMBL
5863061 eMolecules
573277 PubChem
The data in this table is sourced from UniChem at EBI.