Dataset

4-BENZYL-3,4,5-TRIMETHYLPYRAZOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004335 contains the MS mass spectrum of 4-BENZYL-3,4,5-TRIMETHYLPYRAZOLE with the InChIkey DFYZWLUWIIRZOH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H16N2/c1-10-13(3,11(2)15-14-10)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
SMILES c(c2)ccc(c2)CC(C)(C(C)=1)C(C)=NN1
InChI Key DFYZWLUWIIRZOH-UHFFFAOYSA-N
Molecular Formula C13H16N2
Exact Mass 200.131 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-JP004335
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:12:13.234365
MetadataModified 2025-02-09T12:54:52.874269
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
563273 PubChem
J45.362E Nikkaji
DTXSID50340286 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.