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/C20H20O3/c1-4-23-20(22)17-12-10-15(11-13-17)18(14(2)3)19(21)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3
SMILES CCOC(=O)c1ccc(cc1)C(=C(C)C)C(=O)c1ccccc1
InChI Key IAXLQXMTBZSTDT-UHFFFAOYSA-N
Molecular Formula C20H20O3
Exact Mass 308.371 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IAXLQXMTBZSTDT-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/IAXLQXMTBZSTDT-UHFFFAOYSA-N/CHMO0000593
Version
Author Daniel Knoll
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:53:46.256767
MetadataModified 2024-09-07T16:16:11.731005
MetadataPublished 2019-12-20
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
145707043 PubChem
The data in this table is sourced from UniChem at EBI.