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/C22H22O5/c1-4-26-22(23)16-12-17-18(24-2)10-11-19(25-3)21(17)20(13-16)27-14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3
SMILES CCOC(=O)c1cc(OCc2ccccc2)c2c(c1)c(OC)ccc2OC
InChI Key XCASSKXAVDMPQF-UHFFFAOYSA-N
Molecular Formula C22H22O5
Exact Mass 366.407 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XCASSKXAVDMPQF-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/XCASSKXAVDMPQF-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:06:22.854746
MetadataModified 2024-09-07T13:35:32.279408
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
10992171 PubChem
ZINC000095937673 ZINC
16051070 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.