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/C12H15NO/c1-2-9(1)8-14-11-4-3-10-5-6-13-12(10)7-11/h3-4,7,9,13H,1-2,5-6,8H2
SMILES C1Cc2c(N1)cc(cc2)OCC1CC1
InChI Key ZXEQARPTHZHTRZ-UHFFFAOYSA-N
Molecular Formula C12H15NO
Exact Mass 189.254 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZXEQARPTHZHTRZ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZXEQARPTHZHTRZ-UHFFFAOYSA-N/CHMO0000595
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:18:41.220188
MetadataModified 2024-09-08T01:18:41.220193
MetadataPublished 2023-07-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
115074664 PubChem
The data in this table is sourced from UniChem at EBI.