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/C16H17N/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,17H2
SMILES Nc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key BPBOJZFNHXUUNG-UHFFFAOYSA-N
Molecular Formula C16H17N
Exact Mass 223.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BPBOJZFNHXUUNG-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/BPBOJZFNHXUUNG-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Carolin Braun
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:56:03.011463
MetadataModified 2024-09-07T13:20:13.275349
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
10499921 eMolecules
SCHEMBL1767637 SureChEMBL
J984.966A Nikkaji
CB83176245 ChemicalBook
DTXSID30143792 EPA CompTox Dashboard
10122-95-9 ACToR
139095 PubChem
15948465 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.