Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H11N5O/c1-18-10-4-2-9(3-5-10)11-8-17(16-14-11)12-6-7-13-15-12/h2-8H,1H3,(H,13,15)
SMILES COc1ccc(cc1)c1nnn(c1)c1n[nH]cc1
InChI Key PQOYNAQPLQYWLU-UHFFFAOYSA-N
Molecular Formula C12H11N5O
Exact Mass 241.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PQOYNAQPLQYWLU-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/PQOYNAQPLQYWLU-UHFFFAOYSA-N/CHMO0000601
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:52:50.054655
MetadataModified 2024-09-08T02:52:50.054660
MetadataPublished 2024-02-14
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables