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/C12H13NO3/c1-15-4-5-16-10-2-3-11-9(8-14)7-13-12(11)6-10/h2-3,6-8,13H,4-5H2,1H3
SMILES COCCOc1ccc2c(c1)[nH]cc2C=O
InChI Key LNEZZIODZYSDBG-UHFFFAOYSA-N
Molecular Formula C12H13NO3
Exact Mass 219.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNEZZIODZYSDBG-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/LNEZZIODZYSDBG-UHFFFAOYSA-N/CHMO0001146
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:19:55.585676
MetadataModified 2024-09-08T01:19:55.585683
MetadataPublished 2023-07-31
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
168433119 PubChem
The data in this table is sourced from UniChem at EBI.