Dataset

heteronuclear multiple bond coherence (HMBC)

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

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)c1nnn(c1)c1n[nH]cc1
InChI Key PWKBPRHBEDYORH-UHFFFAOYSA-N
Molecular Formula C7H7N5O2
Exact Mass 193.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PWKBPRHBEDYORH-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/PWKBPRHBEDYORH-UHFFFAOYSA-N/CHMO0000601
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:52:10.995959
MetadataModified 2024-09-08T02:52:10.995964
MetadataPublished 2024-02-14
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
J875.529I Nikkaji
15512312 PubChem: Thomson Pharma
10488014 PubChem
The data in this table is sourced from UniChem at EBI.