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/C11H10N2O3S/c1-7-11(14)12-10(17-7)6-8-2-4-9(5-3-8)13(15)16/h2-7H,1H3,(H,12,14)/b10-6-
SMILES O=C1N/C(=C/c2ccc(cc2)[N+](=O)[O-])/SC1C
InChI Key PGDGUAOXLLTZJC-POHAHGRESA-N
Molecular Formula C11H10N2O3S
Exact Mass 250.274 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PGDGUAOXLLTZJC-POHAHGRESA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PGDGUAOXLLTZJC-POHAHGRESA-N/CHMO0000595
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:50:35.771352
MetadataModified 2024-09-08T01:50:35.771358
MetadataPublished 2023-11-07
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
168720030 PubChem
The data in this table is sourced from UniChem at EBI.