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/C22H19NO2/c24-23(25)21-13-11-20(12-14-21)22-15-18-6-5-16-1-3-17(4-2-16)7-9-19(22)10-8-18/h1-4,8,10-15H,5-7,9H2
SMILES [O-][N+](=O)c1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key XRZQCHKTIVOMJE-UHFFFAOYSA-N
Exact Mass 329.392 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XRZQCHKTIVOMJE-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/XRZQCHKTIVOMJE-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:38:30.967262
MetadataModified 2024-09-23T09:24:09.279140
MetadataPublished 2024-05-21
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 298.0 K K

Puls programme : zgpg30

Number of scans : 1024

Title : Dec12-2023

Date : 20231212

Start time : 21.02 h

Instrument : Avance NEO

Label : KT-588

ID : 287740

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
145707042 PubChem
MIMDEV CCDC
The data in this table is sourced from UniChem at EBI.