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/C21H22NP/c1-21(2,3)17-14-15-22-20(16-17)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16H,1-3H3
SMILES CC(c1ccnc(c1)P(c1ccccc1)c1ccccc1)(C)C
InChI Key SQVJCQZWFOKFFX-UHFFFAOYSA-N
Molecular Formula C21H22NP
Exact Mass 319.380 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SQVJCQZWFOKFFX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SQVJCQZWFOKFFX-UHFFFAOYSA-N/CHMO0000593
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:53:46.397831
MetadataModified 2024-09-07T17:36:06.039426
MetadataPublished 2020-04-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SOSTAY CCDC
101202385 PubChem
J1.813.048C Nikkaji
The data in this table is sourced from UniChem at EBI.