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/C9H7NO3/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4,11H,10H2
SMILES Oc1ccc2c(c1)oc(=O)c(c2)N
InChI Key RQFHTIQNYJDJAH-UHFFFAOYSA-N
Molecular Formula C9H7NO3
Exact Mass 177.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RQFHTIQNYJDJAH-UHFFFAOYSA-N/NMR/13C/DMSO/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/RQFHTIQNYJDJAH-UHFFFAOYSA-N/NMR/13C/DMSO/75.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:29:55.343673
MetadataModified 2024-09-07T14:01:22.112464
MetadataPublished 2015-05-12
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL1607902 SureChEMBL
57345854 PubChem
J2.476.717E Nikkaji
DTXSID30720986 EPA CompTox Dashboard
ZINC000072482120 ZINC
The data in this table is sourced from UniChem at EBI.