Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H15N/c1-11-8-9-12(2)14(10-11)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3
SMILES Cc1ccc(c(c1)Nc1ccccc1)C
InChI Key QCIPGRGZZUTJAG-UHFFFAOYSA-N
Molecular Formula C14H15N
Exact Mass 197.276 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QCIPGRGZZUTJAG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QCIPGRGZZUTJAG-UHFFFAOYSA-N/CHMO0000593
Version
Author Eduard Spuling
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:52:03.578428
MetadataModified 2024-09-07T18:53:46.444766
MetadataPublished 2020-10-05
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15947635 PubChem: Thomson Pharma
10899586 PubChem
SCHEMBL8691617 SureChEMBL
J709.024B Nikkaji
ZINC000091363892 ZINC
DTXSID80447651 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.