Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
SMILES Cc1ccnc(n1)N
InChI Key GHCFWKFREBNSPC-UHFFFAOYSA-N
Molecular Formula C5H7N3
Exact Mass 109.129 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHCFWKFREBNSPC-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/GHCFWKFREBNSPC-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:13:08.783373
MetadataModified 2024-09-08T04:13:08.783378
MetadataPublished 2024-07-15
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
J79.446E Nikkaji
ZINC000000404289 ZINC
170014 ChEBI
DTXSID90148349 EPA CompTox Dashboard
XAQNUZ CCDC
ZEQ6ZS0OOC FDA SRS
CB9394803 ChemicalBook
SCHEMBL91470 SureChEMBL
534500 eMolecules
27677549 eMolecules
16918483 PubChem: Thomson Pharma
SCHEMBL16218788 SureChEMBL
108-52-1 ACToR
20045935 NMRShiftDB
MCULE-5796368820 Mcule
7939 PubChem
The data in this table is sourced from UniChem at EBI.