Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H7NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h1-6,11H
SMILES Oc1cccc2c1cncc2
InChI Key ZIXWTPREILQLAC-UHFFFAOYSA-N
Molecular Formula C9H7NO
Exact Mass 145.158 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZIXWTPREILQLAC-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZIXWTPREILQLAC-UHFFFAOYSA-N/CHMO0000595
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-04T13:29:42.078856
MetadataModified 2025-02-04T13:29:42.078862
MetadataPublished 2025-01-22
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB3957147 ChemicalBook
J1.398.041A Nikkaji
ZINC000006513210 ZINC
7587001 eMolecules
SCHEMBL276528 SureChEMBL
3482-14-2 ACToR
135441711 PubChem
The data in this table is sourced from UniChem at EBI.