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/C8H11NO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,9H2,1-2H3
SMILES COc1ccc(cc1C)N
InChI Key NFWPZNNZUCPLAX-UHFFFAOYSA-N
Molecular Formula C8H11NO
Exact Mass 137.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NFWPZNNZUCPLAX-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/NFWPZNNZUCPLAX-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:17:38.667778
MetadataModified 2024-09-07T14:10:25.481604
MetadataPublished 2015-10-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID20159625 EPA CompTox Dashboard
ZINC000001847720 ZINC
J10.039K Nikkaji
67297 PubChem
MCULE-8614182654 Mcule
CB6266868 ChemicalBook
16593752 PubChem: Thomson Pharma
10228911 eMolecules
136-90-3 ACToR
SCHEMBL245409 SureChEMBL
The data in this table is sourced from UniChem at EBI.