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/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3
SMILES COc1ccc(cc1C)[N+](=O)[O-]
InChI Key QOZMIJZYJZQOBV-UHFFFAOYSA-N
Molecular Formula C8H9NO3
Exact Mass 167.162 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOZMIJZYJZQOBV-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/QOZMIJZYJZQOBV-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:20:46.343025
MetadataModified 2024-09-07T14:14:55.849806
MetadataPublished 2016-11-25
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
10644431 eMolecules
50741-92-9 ACToR
86771-76-8 ACToR
CB7499661 ChemicalBook
DTXSID70198786 EPA CompTox Dashboard
ZINC000005018780 ZINC
643520 PubChem
20037751 NMRShiftDB
SCHEMBL187136 SureChEMBL
The data in this table is sourced from UniChem at EBI.