Dataset

mass spectrometry (MS) (methyl 1-(1H-pyrazol-5-yl)triazole-4-carboxylate)

dataset for mass spectrometry (MS)

Chemical Info

molecular Image
InChI InChI=1S/C7H7N5O2/c1-14-7(13)5-4-12(11-9-5)6-2-3-8-10-6/h2-4H,1H3,(H,8,10)
SMILES COC(=O)c1cn(-c2cc[nH]n2)nn1
InChI Key PWKBPRHBEDYORH-UHFFFAOYSA-N
Molecular Formula C7H7N5O2

Data and Resources

Related Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author Gräßle, Simone, Wippert, Nicolai
Maintainer chemotion-repository
Language en
MetadataCreated 2024-02-18T03:27:50.169116
MetadataModified 2024-02-18T03:27:50.169121
MetadataPublished
Field Value
Measurement Technique
Measurement Variables