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/C18H15NO2/c1-2-11-19-18(20)21-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h1,3-10,17H,11-12H2,(H,19,20)
SMILES C#CCNC(=O)OCC1c2ccccc2-c2c1cccc2
InChI Key WVWNQUIGNHTEJW-UHFFFAOYSA-N
Molecular Formula C18H15NO2
Exact Mass 277.317 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WVWNQUIGNHTEJW-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/WVWNQUIGNHTEJW-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:41:01.840022
MetadataModified 2024-09-07T12:57:45.454969
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.842.492D Nikkaji
ZINC000096300345 ZINC
AMAQOW CCDC
15071396 PubChem: Thomson Pharma
10084877 PubChem
SCHEMBL4353645 SureChEMBL
The data in this table is sourced from UniChem at EBI.