Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H12N2O3/c15-11(3-4-12(16)17)14-9-2-1-8-5-6-13-10(8)7-9/h1-2,5-7,13H,3-4H2,(H,14,15)(H,16,17)
SMILES O=C(Nc1ccc2c(c1)[nH]cc2)CCC(=O)O
InChI Key QPAHTTFCCFCZPE-UHFFFAOYSA-N
Molecular Formula C12H12N2O3
Exact Mass 232.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QPAHTTFCCFCZPE-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/QPAHTTFCCFCZPE-UHFFFAOYSA-N/CHMO0001146
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:25:05.608166
MetadataModified 2024-09-08T01:25:05.608171
MetadataPublished 2023-07-31
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
19057823 PubChem
MCULE-6130359132 Mcule
ZINC000022863923 ZINC
MolPort-019-612-485 MolPort
The data in this table is sourced from UniChem at EBI.