Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H8N2O2/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4H,1-2H3
SMILES COc1cc(C#N)c(cc1OC)C#N
InChI Key BDSTWWJVHJRQHV-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
Exact Mass 188.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BDSTWWJVHJRQHV-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/BDSTWWJVHJRQHV-UHFFFAOYSA-N/CHMO0000470
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-08T03:05:08.491855
MetadataModified 2025-03-09T03:14:28.325182
MetadataPublished 2025-03-07
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